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Ingredients

(4s)-4-hydroxy-4-[(e,3s)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one

C13H20O3

Entity Type
Ingredients
Relation Groups
2
Relation Preview
9

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(4s)-4-hydroxy-4-[(e,3s)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
Molecular Formula
C13H20O3
Molecular Weight
No data
Canonical SMILES
CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C
Isomeric SMILES
CC1=CC(=O)CC([C@]1(/C=C/[C@H](C)O)O)(C)C
InChI
InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13+/m0/s1
Oral Bioavailability
53.091
Drug Likeness
0.700
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 ingredient3 Herbs
01
大枣
Da Zao / Fructus Jujubae; Jujubae Fructus
Da ZaoFructus Jujubae; Jujubae Fructus
03
枇杷叶
Pi Pa Ye / Folium Eriobotryae; Eriobotryae Folium
Pi Pa YeFolium Eriobotryae; Eriobotryae Folium