Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 19Links: 20
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3489
- Core Entity Id
- 7064
- Source Entity Count
- 1
- Preferred Name
- 3,5,3'-trimethoxyquercetin
- Name En
- Pubchem Id
- 14162697
- Smiles Canonical
- COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C=C3)O)OC)OC)O
- Molecular Formula
- C19H18O8
- Molecular Weight
- 374.3700
- Inchikey
- VGKWUQZAFRYZOU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H16O7/c1-22-12-6-9(4-5-11(12)20)17-18(24-3)16(21)15-13(23-2)7-10(19)8-14(15)25-17/h4-8,19-20H,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- 37.8338
- Mol Logp
- 2.6000
- Num H Donors
- 2
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 94.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,5,3'-Trimethoxyquercetin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3,5,3'-Trimethoxyquercetin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3,5,3'-trimethoxyquercetin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3,5,3'-trimethoxyquercetin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,5,3'-trimethoxyquercetin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,5,3'-trimethoxyquercetin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007534
Tcmsp
MOL009772
Sym Map
SMIT10856
Tcmbank
TCMBANKIN027036
Etcm Ingredient
3,5,3'-trimethoxyquercetin
Itcmdb Generated
ITX-INGREDIENT-3620DF5DCC90
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
37.83380337.8338031637.834
Suppress
0
Molecule Weight
374.37
Molecular Weight
374.100
Molecular Weight
374.37
Molecular Formula
C19H18O8
Fda Maximum Daily Dose (Fdamdd)
0.296
Quantitative Estimate Of Drug Likeness（Qed）
0.702