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Ingredients

(3r,6s)-3-hydroperoxy-6-isopropenyl-3-methylcyclohexene

C10H16O2

Entity Type
Ingredients
Relation Groups
2
Relation Preview
7

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(3r,6s)-3-hydroperoxy-6-isopropenyl-3-methylcyclohexene
Molecular Formula
C10H16O2
Molecular Weight
No data
Canonical SMILES
CC(=C)C1CCC(C=C1)(C)OO
Isomeric SMILES
CC(=C)[C@H]1CC[C@@](C=C1)(C)OO
InChI
InChI=1S/C10H16O2/c1-8(2)9-4-6-10(3,12-11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10+/m1/s1
Oral Bioavailability
58.860
Drug Likeness
0.390
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
吴茱萸
Wu Zhu Yu / Euodiae Fructus; Fructus Evodiae
Wu Zhu YuEuodiae Fructus; Fructus Evodiae