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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Zederone

C15H18O3

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
15

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Zederone
Molecular Formula
C15H18O3
Molecular Weight
No data
Canonical SMILES
CC1=CCCC2(C(O2)C(=O)C3=C(C1)OC=C3C)C
Isomeric SMILES
C/C/1=C/CC[C@@]2([C@@H](O2)C(=O)C3=C(C1)OC=C3C)C
InChI
InChI=1S/C15H18O3/c1-9-5-4-6-15(3)14(18-15)13(16)12-10(2)8-17-11(12)7-9/h5,8,14H,4,6-7H2,1-3H3/b9-5-/t14-,15+/m0/s1
Oral Bioavailability
40.598
Drug Likeness
0.521
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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