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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Geranylacetone

C13H22O

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
9

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Geranylacetone
Molecular Formula
C13H22O
Molecular Weight
No data
Canonical SMILES
CC(=CCCC(=CCCC(=O)C)C)C
Isomeric SMILES
CC(=CCC/C(=C/CCC(=O)C)/C)C
InChI
InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+
Oral Bioavailability
No data
Drug Likeness
0.583
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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