Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8087
- Core Entity Id
- 12161
- Source Entity Count
- 1
- Preferred Name
- 7,3',4'-trihydroxy-3-methoxyflavone
- Name En
- Pubchem Id
- 9839293
- Smiles Canonical
- COC1=C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O
- Molecular Formula
- C16H12O6
- Molecular Weight
- 300.2660
- Inchikey
- VBXMLZNGZPQAEI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O6/c1-21-16-14(20)10-4-3-9(17)7-13(10)22-15(16)8-2-5-11(18)12(19)6-8/h2-7,17-19H,1H3
- Isomeric Smiles
- COC1=C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.5854
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6290
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7,3',4'-trihydroxy-3-methoxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7,3',4'-trihydroxy-3-methoxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7,3',4'-trihydroxy-3-methoxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-(3,4-Dihydroxyphenyl)-7-hydroxy-3-methoxy-4H-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3,4-Dihydroxyphenyl)-7-hydroxy-3-methoxy-4H-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3,4-dihydroxyphenyl)-7-hydroxy-3-methoxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3,4-dihydroxyphenyl)-7-hydroxy-3-methoxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
20870-06-8
Role
alias
Source
HERB_v2
Preferred
No
Name
20870-06-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
3',4',7-Trihydroxy-3-methoxy-flavone-d3
Role
alias
Source
HERB_v2
Preferred
No
Name
3',4',7-Trihydroxy-3-methoxy-flavone-d3
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-O-Methylfisetin
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-O-Methylfisetin
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:184653
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:184653
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL126121
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL126121
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fisetin 3-methyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Fisetin 3-methyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12111567
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12111567
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL34716
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL34716
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-(3,4-Dihydroxyphenyl)-7-hydroxy-3-methoxy-4H-1-benzopyran-4-one2-(3,4-dihydroxyphenyl)-7-hydroxy-3-methoxychromen-4-one20870-06-83',4',7-Trihydroxy-3-methoxy-flavone-d33-O-MethylfisetinCHEBI:184653CHEMBL126121Fisetin 3-methyl etherLMPK12111567SCHEMBL34716
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012904
Npass
NPC260895
Tcmid
42234
Pub Chem
9839293
Tcmbank
TCMBANKIN027256
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H12O6/c1-21-16-14(20)10-4-3-9(17)7-13(10)22-15(16)8-2-5-11(18)12(19)6-8/h2-7,17-19H,1H3
Mol Wt
300.266
Smiles
COC1=C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O
Mol Log P
2.585400000000002
In Ch Ikey
VBXMLZNGZPQAEI-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.629
Num Hacceptors
6
Isomeric Smiles
COC1=C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O
Canonical Smiles
COC1=C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O
Herb Alias Names
Fisetin 3-methyl ether3-O-Methylfisetin20870-06-82-(3,4-dihydroxyphenyl)-7-hydroxy-3-methoxychromen-4-one3',4',7-Trihydroxy-3-methoxy-flavone-d32-(3,4-Dihydroxyphenyl)-7-hydroxy-3-methoxy-4H-1-benzopyran-4-oneSCHEMBL34716CHEMBL126121CHEBI:184653LMPK12111567
Molecular Weight
300.26 g/mol
Molecular Formula
C16H12O6
Molecular Formula
C16H12O6
Num Rotatable Bonds
2