Herb Integrative Database

Traditional Medicine Data Platform

Ingredients

Xanthohumol

C21H22O5

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Entity Type: Ingredients
Relation Groups: 2
Relation Preview: 12

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name: Xanthohumol
Molecular Formula: C21H22O5
Molecular Weight: No data
Canonical SMILES: CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)C
Isomeric SMILES: CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=CC=C(C=C2)O)O)C
InChI: InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
Oral Bioavailability: 1.018
Drug Likeness: 0.411
DL Score: No data
Caco-2 Permeability: No data
ALogP: No data
Bioavailability Score: No data

Identifiers

InChI Key: No data
PubChem CID: No data

Description and Extensions

Toxicity Information: No data

Related

Direct relations and traceable candidates grouped by relation type.

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