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: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5705
- Core Entity Id
- 9530
- Source Entity Count
- 1
- Preferred Name
- 4',7-dihydroxy-2',5-dimethoxyflavonol
- Name En
- Pubchem Id
- 11709692
- Smiles Canonical
- COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=C(C=C(C=C3)O)OC)O)O
- Molecular Formula
- C17H14O7
- Molecular Weight
- 330.2920
- Inchikey
- INKHYXOUGSQIBJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14O7/c1-22-11-5-8(18)3-4-10(11)17-16(21)15(20)14-12(23-2)6-9(19)7-13(14)24-17/h3-7,18-19,21H,1-2H3
- Isomeric Smiles
- COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=C(C=C(C=C3)O)OC)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.5940
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6770
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4',7-Dihydroxy-2',5-Dimethoxyflavonol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4',7-Dihydroxy-2',5-Dimethoxyflavonol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4',7-Dihydroxy-2',5-dimethoxyflavonol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4',7-dihydroxy-2',5-dimethoxyflavonol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4',7-dihydroxy-2',5-dimethoxyflavonol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4',7-dihydroxy-2',5-dimethoxyflavonol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010091
Tcmid
5831
Sym Map
SMIT21402
Pub Chem
11709692
Tcmbank
TCMBANKIN048143
Etcm Ingredient
4',7-Dihydroxy-2',5-dimethoxyflavonol
Itcmdb Generated
ITX-INGREDIENT-1B4E813FDCB6ITX-INGREDIENT-E9C4795DBF28
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H14O7/c1-22-11-5-8(18)3-4-10(11)17-16(21)15(20)14-12(23-2)6-9(19)7-13(14)24-17/h3-7,18-19,21H,1-2H3
Mol Wt
330.292
Smiles
COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=C(C=C(C=C3)O)OC)O)O
Mol Log P
2.594000000000002
Version
v2
In Ch Ikey
INKHYXOUGSQIBJ-UHFFFAOYSA-N
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/05832.mol2
Reference
5338
Num Hdonors
3
Drug Likeness
0.677
Num Hacceptors
7
Isomeric Smiles
COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=C(C=C(C=C3)O)OC)O)O
Canonical Smiles
COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=C(C=C(C=C3)O)OC)O)O
Molecular Weight
330.070
Molecular Weight
330.29 g/mol
Molecular Formula
C17H14O7
Molecular Formula
C17H14O7
Molecular Formula
C17H14O7
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.724
Quantitative Estimate Of Drug Likeness（Qed）
0.677