Herb Integrative Database

Traditional Medicine Data Platform

Ingredients

Nootkatone

C15H22O

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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: Nootkatone
Molecular Formula: C15H22O
Molecular Weight: No data
Canonical SMILES: CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C
Isomeric SMILES: C[C@@H]1CC(=O)C=C2[C@]1(C[C@@H](CC2)C(=C)C)C
InChI: InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1
Oral Bioavailability: 33.044
Drug Likeness: 0.610
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.

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herb ingredient8 Herbs

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