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Ingredients

(1e,6e)-1-(4-hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxy phenyl)-1,6-heptadiene-3,5-dione

C20H18O6

Entity Type
Ingredients
Relation Groups
2
Relation Preview
9

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(1e,6e)-1-(4-hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxy phenyl)-1,6-heptadiene-3,5-dione
Molecular Formula
C20H18O6
Molecular Weight
No data
Canonical SMILES
COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)O)O
Isomeric SMILES
COC1=C(C=CC(=C1)/C=C\C(=O)CC(=O)/C=C\C2=CC(=C(C=C2)O)O)O
InChI
InChI=1S/C20H18O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)12-15(21)6-2-13-4-8-17(23)19(25)10-13/h2-11,23-25H,12H2,1H3/b6-2-,7-3-
Oral Bioavailability
1.957
Drug Likeness
0.401
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.

Source Herbs

herb ingredient1 Herbs
01
郁金
Yu Jin / Radix Curcumae; Curcumae Radix
Yu JinRadix Curcumae; Curcumae Radix