Substances (GSRS)

3,4',5-TRIHYDROXY-7-METHOXYFLAVONE

Also: 3,5-DIHYDROXY-2-(4-HYDROXYPHENYL)-7-METHOXY-4H-1-BENZOPYRAN-4-ONE, 4H-1-BENZOPYRAN-4-ONE, 3,5-DIHYDROXY-2-(4-HYDROXYPHENYL)-7-METHOXY-, 7-M…

chemicalUNII BZ59ZB4HBU
Open FDA's page for this record
Substance class
chemical
Definition type
PRIMARY
Definition level
COMPLETE
Uuid
c01dad8e-5260-40ac-83c5-1eea117d1e2c
Version
5
UNII
BZ59ZB4HBU
Codes
  1. Uuid
    bdad6b05-d338-445c-a95b-2f16d09e76f6
    Code
    569-92-6
    Type
    PRIMARY
    Url
    https://commonchemistry.cas.org/detail?cas_rn=569-92-6
    Code system
    CAS
    References
    14a6a2bb-c939-48f9-ae6e-22553bdc3c83, 8b6c2a0e-9b86-4c40-8b97-5ea2ea6549f0
  2. Uuid
    1870e45b-fea7-4d4f-ad28-9b95622691d3
    Code
    5320946
    Type
    PRIMARY
    Url
    https://pubchem.ncbi.nlm.nih.gov/compound/5320946
    Code system
    PUBCHEM
    References
    14a6a2bb-c939-48f9-ae6e-22553bdc3c83
  3. Uuid
    feae3849-ceb6-447b-53ed-c5d926a816ea
    Code
    80897
    Type
    PRIMARY
    Url
    https://www.ebi.ac.uk/chebi/chebiOntology.do?chebiId=CHEBI:80897
    Code system
    CHEBI
    References
    ff67697d-aae4-2be3-4c19-50659469062c
  4. Uuid
    cbc52903-c8ac-43bf-9b36-557f0e291f86
    Code
    BZ59ZB4HBU
    Type
    PRIMARY
    Code system
    FDA UNII
Names
  1. Uuid
    c4216f95-218f-4e35-bddc-2f82841034b0
    Name
    3,4',5-TRIHYDROXY-7-METHOXYFLAVONE
    StdName
    3,4',5-TRIHYDROXY-7-METHOXYFLAVONE
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    b7eca486-9f03-4d80-a848-fa78ce74973d, ce35d469-426a-4c6d-b8a9-7be2c21af9ba
  2. Uuid
    a12e0971-33cf-42a5-b525-5ab124b1feef
    Name
    3,5-DIHYDROXY-2-(4-HYDROXYPHENYL)-7-METHOXY-4H-1-BENZOPYRAN-4-ONE
    StdName
    3,5-DIHYDROXY-2-(4-HYDROXYPHENYL)-7-METHOXY-4H-1-BENZOPYRAN-4-ONE
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    8b6c2a0e-9b86-4c40-8b97-5ea2ea6549f0
  3. Uuid
    47a364ff-1e3b-46fd-8d6f-6d5f665abff8
    Name
    4H-1-BENZOPYRAN-4-ONE, 3,5-DIHYDROXY-2-(4-HYDROXYPHENYL)-7-METHOXY-
    StdName
    4H-1-BENZOPYRAN-4-ONE, 3,5-DIHYDROXY-2-(4-HYDROXYPHENYL)-7-METHOXY-
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    44d4aafe-88b7-4347-84bb-93b08892eb48, b7eca486-9f03-4d80-a848-fa78ce74973d
  4. Uuid
    45ecaa39-2da2-42e1-b3c9-7305b6c9e433
    Name
    7-METHYLKAEMPFEROL
    StdName
    7-METHYLKAEMPFEROL
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    b7eca486-9f03-4d80-a848-fa78ce74973d, ce35d469-426a-4c6d-b8a9-7be2c21af9ba
  5. Uuid
    f7d0bfad-341b-438d-96a2-ca8364b451c8
    Name
    7-O-METHYLKAEMPFEROL
    StdName
    7-O-METHYLKAEMPFEROL
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    b7eca486-9f03-4d80-a848-fa78ce74973d, ce35d469-426a-4c6d-b8a9-7be2c21af9ba
  6. Uuid
    22292d44-1417-4061-a153-7b1e5970c839
    Name
    FLAVONE, 3,4',5-TRIHYDROXY-7-METHOXY-
    StdName
    FLAVONE, 3,4',5-TRIHYDROXY-7-METHOXY-
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    b7eca486-9f03-4d80-a848-fa78ce74973d, ce35d469-426a-4c6d-b8a9-7be2c21af9ba
  7. Uuid
    e48a25f0-84d3-4b54-b82e-45cdf1e31b0f
    Name
    KAEMPFEROL 7-METHYL ETHER
    StdName
    KAEMPFEROL 7-METHYL ETHER
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    b7eca486-9f03-4d80-a848-fa78ce74973d, ce35d469-426a-4c6d-b8a9-7be2c21af9ba
  8. Uuid
    92a8777e-a54c-48cd-9a91-c54e28862dde
    Name
    KAEMPFEROL-7-O-METHYL ETHER
    StdName
    KAEMPFEROL-7-O-METHYL ETHER
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    b7eca486-9f03-4d80-a848-fa78ce74973d, ce35d469-426a-4c6d-b8a9-7be2c21af9ba
  9. Uuid
    a5ca089c-c834-4e00-af73-8189c8c0d464
    Name
    RHAMNOCITRIN
    StdName
    RHAMNOCITRIN
    Type
    cn
    Preferred
    false
    Display name
    true
    Languages
    en
    References
    44d4aafe-88b7-4347-84bb-93b08892eb48, b7eca486-9f03-4d80-a848-fa78ce74973d, 8b6c2a0e-9b86-4c40-8b97-5ea2ea6549f0
References
  1. Uuid
    44d4aafe-88b7-4347-84bb-93b08892eb48
    Citation
    CHEMID
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  2. Uuid
    b7eca486-9f03-4d80-a848-fa78ce74973d
    Citation
    CHEMID
    Doc type
    CHEMID
    Public domain
    true
    Tags
    NOMEN
  3. Uuid
    ce35d469-426a-4c6d-b8a9-7be2c21af9ba
    Citation
    STN
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  4. Uuid
    14a6a2bb-c939-48f9-ae6e-22553bdc3c83
    Citation
    SRS CODE IMPORT
    Doc type
    SRS
    Public domain
    true
    Document date
    1493391324000
    Tags
    NOMEN
  5. Uuid
    ff67697d-aae4-2be3-4c19-50659469062c
    Doc type
    SYSTEM
    Public domain
    true
  6. Uuid
    8b6c2a0e-9b86-4c40-8b97-5ea2ea6549f0
    Citation
    STN
    Doc type
    STN (SCIFINDER)
    Public domain
    true
    Tags
    PUBLIC_DOMAIN_RELEASE
Moieties
  1. Uuid
    f7c2f287-145b-43ce-80bf-37e190ea4bcc
    ID
    f7c2f287-145b-43ce-80bf-37e190ea4bcc
    Smiles
    COc1cc(c2c(c1)oc(-c3ccc(cc3)O)c(c2=O)O)O
    Formula
    C16H12O6
    Atropisomerism
    No
    Charge
    0
    Count
    1
    Stereochemistry
    ACHIRAL
    Defined stereo
    0
    Ez centers
    0
    Molecular weight
    300.2635
    Optical activity
    NONE
    Stereo centers
    0
    Molfile

    Marvin 01132112512D 22 24 0 0 0 0 999 V2000 3.6167 -5.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3309 -4.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0454 -5.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0454 -5.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7597 -6.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7597 -7.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4740 -5.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4740 -5.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7597 -4.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1884 -4.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9028 -5.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6171 -4.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6171 -3.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3314 -3.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0458 -3.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7600 -3.4081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0458 -4.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3315 -5.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9028 -5.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6171 -6.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1884 -6.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1884 -7.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 3 9 2 0 0 0 0 5 4 2 0 0 0 0 5 6 1 0 0 0 0 7 5 1 0 0 0 0 7 8 2 0 0 0 0 21 7 1 0 0 0 0 9 8 1 0 0 0 0 8 10 1 0 0 0 0 11 10 1 0 0 0 0 11 12 1 0 0 0 0 11 19 2 0 0 0 0 12 13 1 0 0 0 0 12 18 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 M END

    Count amount
    Type
    MOL RATIO
    Average
    1
    Units
    MOL RATIO
    Uuid
    8f40e30b-2297-4c05-bfa7-23a44da5bf2e
Structure
ID
f16fc7cc-b9c5-4f05-a6ca-e18d6c7fe3b0
Smiles
COc1cc(c2c(c1)oc(-c3ccc(cc3)O)c(c2=O)O)O
Formula
C16H12O6
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
ACHIRAL
Defined stereo
0
Ez centers
0
Molecular weight
300.2635
Optical activity
NONE
Stereo centers
0
Molfile

Marvin 01132112312D 22 24 0 0 0 0 999 V2000 7.9028 -5.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9028 -5.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1884 -6.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1884 -7.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4740 -5.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7597 -6.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7597 -7.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0454 -5.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0454 -5.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3309 -4.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -5.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7597 -4.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4740 -5.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1884 -4.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6171 -6.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6171 -4.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6171 -3.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3314 -3.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0458 -3.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7600 -3.4081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0458 -4.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3315 -5.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 9 12 2 0 0 0 0 12 13 1 0 0 0 0 5 13 2 0 0 0 0 13 14 1 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 1 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 21 22 1 0 0 0 0 16 22 2 0 0 0 0 M END

References
44d4aafe-88b7-4347-84bb-93b08892eb48, 8b6c2a0e-9b86-4c40-8b97-5ea2ea6549f0
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