IngredientID 4645

3-methoxyquercetin

C16H12O7

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Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Ingredient: 1Target: 12Links: 12
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
4645
Core Entity Id
8354
Source Entity Count
1
Preferred Name
3-methoxyquercetin
Name En
Pubchem Id
5281654
Smiles Canonical
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Molecular Formula
C16H12O7
Molecular Weight
0.0000
Inchikey
IZQSVPBOUDKVDZ-UHFFFAOYSA-N
Inchi
InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
Isomeric Smiles
Cas Id
Ob Score
Mol Logp
1.9000
Num H Donors
4
Num H Acceptors
7
Num Rotatable Bonds
2
Drug Likeness
Polar Surface Area
116.0000
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
3-Methoxy-Quercetin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3-Methoxy-Quercetin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-methoxyquercetin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-methoxyquercetin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-methoxyquercetin
Role
preferred
Source
itcmdb_public
Preferred
Yes

Aliases

Additional names normalized into the restored final schema.

3-Methoxy-Quercetin

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN008855
Sym Map
SMIT21185
Tcm Id
24336
Tcmbank
TCMBANKIN015358
Itcmdb Generated
ITX-INGREDIENT-F0E6317F6790

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
Version
v2
Suppress
0
Molecular Weight
0