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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Calacorene

C15H20

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
16

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Calacorene
Molecular Formula
C15H20
Molecular Weight
No data
Canonical SMILES
CC1=CCC(C2=C1C=CC(=C2)C)C(C)C
Isomeric SMILES
CC1=CC[C@H](C2=C1C=CC(=C2)C)C(C)C
InChI
InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1
Oral Bioavailability
16.197
Drug Likeness
0.624
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
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Direct relations and traceable candidates grouped by relation type.

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