Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 13Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3686
- Core Entity Id
- 7283
- Source Entity Count
- 1
- Preferred Name
- 3,7-dihydroxy-6-methoxydihydroflavonol
- Name En
- Pubchem Id
- 70017036
- Smiles Canonical
- COC1=C(C=C2C(C1)C(=O)C(C(O2)C3=CC=CC=C3)(O)O)O
- Molecular Formula
- C16H16O6
- Molecular Weight
- 304.2980
- Inchikey
- NPPDZMXIFYVPRD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H16O6/c1-21-13-7-10-12(8-11(13)17)22-15(16(19,20)14(10)18)9-5-3-2-4-6-9/h2-6,8,10,15,17,19-20H,7H2,1H3
- Isomeric Smiles
- COC1=C(C=C2C(C1)C(=O)C(C(O2)C3=CC=CC=C3)(O)O)O
- Cas Id
- Ob Score
- 43.7996
- Mol Logp
- 1.3277
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7130
- Polar Surface Area
- 96.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,7-Dihydroxy-6-Methoxy-Dihydroflavonol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3,7-Dihydroxy-6-Methoxy-Dihydroflavonol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3,7-dihydroxy-6-methoxy-dihydroflavonol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3,7-dihydroxy-6-methoxy-dihydroflavonol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,7-dihydroxy-6-methoxy-dihydroflavonol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3,7-dihydroxy-6-methoxydihydroflavonol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
SCHEMBL7190341
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL7190341
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3,7-Dihydroxy-6-Methoxy-DihydroflavonolSCHEMBL7190341
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007778HBIN007779
Tcmid
41989
Tcmsp
MOL000461
Sym Map
SMIT03060SMIT21052
Pub Chem
70017036
Tcmbank
TCMBANKIN013197TCMBANKIN022415
Etcm Ingredient
3,7-dihydroxy-6-methoxy-dihydroflavonol
Itcmdb Generated
ITX-INGREDIENT-825DF3CC34A1ITX-INGREDIENT-C56788FA40A3
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H16O6/c1-21-13-7-10-12(8-11(13)17)22-15(16(19,20)14(10)18)9-5-3-2-4-6-9/h2-6,8,10,15,17,19-20H,7H2,1H3
Mol Wt
304.298
Mol Log P
1.3277
Version
v1,v2v2
In Ch Ikey
NPPDZMXIFYVPRD-UHFFFAOYSA-N
Ob Score
43.79958543.7995854443.8
Suppress
0
Num Hdonors
3
Drug Likeness
0.713
Num Hacceptors
6
Isomeric Smiles
COC1=C(C=C2C(C1)C(=O)C(C(O2)C3=CC=CC=C3)(O)O)O
Molecule Weight
302.3
Canonical Smiles
COC1=C(C=C2C(C1)C(=O)C(C(O2)C3=CC=CC=C3)(O)O)O
Molecular Weight
302.080
Molecular Weight
302.3
Molecular Formula
C16H14O6
Molecular Formula
C16H16O6
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.021
Quantitative Estimate Of Drug Likeness（Qed）
0.726