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Ingredients

(3r,5r)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol

C21H28O6

Entity Type
Ingredients
Relation Groups
2
Relation Preview
10

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(3r,5r)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
Molecular Formula
C21H28O6
Molecular Weight
No data
Canonical SMILES
COC1=C(C=CC(=C1)CCC(CC(CCC2=CC(=C(C=C2)O)OC)O)O)O
Isomeric SMILES
COC1=C(C=CC(=C1)CC[C@H](C[C@@H](CCC2=CC(=C(C=C2)O)OC)O)O)O
InChI
InChI=1S/C21H28O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,16-17,22-25H,3-4,7-8,13H2,1-2H3/t16-,17-/m1/s1
Oral Bioavailability
5.505
Drug Likeness
0.509
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 ingredient2 Herbs
01
郁金
Yu Jin / Radix Curcumae; Curcumae Radix
Yu JinRadix Curcumae; Curcumae Radix
02
高良姜
Gao Liang Jiang / Alpiniae Officinarum Rhizoma; Rhizoma Alpiniae Officinarum
Gao Liang JiangAlpiniae Officinarum Rhizoma; Rhizoma Alpiniae Officinarum