Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8383
- Core Entity Id
- 12487
- Source Entity Count
- 1
- Preferred Name
- 7-hydroxy-3,5-dimethoxyflavone
- Name En
- Pubchem Id
- 44392177
- Smiles Canonical
- COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC=CC=C3)OC)O
- Molecular Formula
- C17H14O5
- Molecular Weight
- 298.2940
- Inchikey
- BUNIGAWIPPRWMH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14O5/c1-20-12-8-11(18)9-13-14(12)15(19)17(21-2)16(22-13)10-6-4-3-5-7-10/h3-9,18H,1-2H3
- Isomeric Smiles
- COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC=CC=C3)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 3.1828
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.8040
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-Hydroxy-3,5-Dimethoxyflavone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
7-Hydroxy-3,5-Dimethoxyflavone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
7-Hydroxy-3,5-dimethoxyflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7-hydroxy-3,5-dimethoxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-hydroxy-3,5-dimethoxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7-hydroxy-3,5-dimethoxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
39869-03-9
Role
alias
Source
HERB_v2
Preferred
No
Name
39869-03-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Hydroxy-3,5-dimethoxy-2-phenyl-4H-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Hydroxy-3,5-dimethoxy-2-phenyl-4H-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL183723
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL183723
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID601211664
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID601211664
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
39869-03-97-Hydroxy-3,5-dimethoxy-2-phenyl-4H-1-benzopyran-4-oneCHEMBL183723DTXSID601211664
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013225
Npass
NPC230285
Tcmid
10026
Sym Map
SMIT21966
Pub Chem
44392177
Tcmbank
TCMBANKIN050161
Etcm Ingredient
7-Hydroxy-3,5-dimethoxyflavone
Itcmdb Generated
ITX-INGREDIENT-876107311713ITX-INGREDIENT-C2A26682D1EF
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H14O5/c1-20-12-8-11(18)9-13-14(12)15(19)17(21-2)16(22-13)10-6-4-3-5-7-10/h3-9,18H,1-2H3
Mol Wt
298.294
Smiles
COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC=CC=C3)OC)O
Mol Log P
3.182800000000003
Version
v2
In Ch Ikey
BUNIGAWIPPRWMH-UHFFFAOYSA-N
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/10027.mol2
Reference
660
Num Hdonors
1
Drug Likeness
0.804
Num Hacceptors
5
Isomeric Smiles
COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC=CC=C3)OC)O
Canonical Smiles
COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC=CC=C3)OC)O
Herb Alias Names
CHEMBL183723DTXSID60121166439869-03-97-Hydroxy-3,5-dimethoxy-2-phenyl-4H-1-benzopyran-4-one
Molecular Weight
328.130
Molecular Weight
298.29 g/mol
Molecular Formula
C19H20O5
Molecular Formula
C17H14O5
Molecular Formula
C17H14O5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.276
Quantitative Estimate Of Drug Likeness（Qed）
0.804