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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

Related Entities

Direct relations and traceable candidates grouped by relation type.

Source HerbsActive Targets

Active Targets

ingredient target8 Targets
GraphMore Targets
01
ACHE
acetylcholinesterase (Cartwright blood group)
acetylcholinesterase (Cartwright blood group)
DetailsGraph
02
AKR1C3
aldo-keto reductase family 1 member C3
aldo-keto reductase family 1 member C3
DetailsGraph
05
CYP17A1
cytochrome P450 family 17 subfamily A member 1
cytochrome P450 family 17 subfamily A member 1
DetailsGraph
06
CYP19A1
cytochrome P450 family 19 subfamily A member 1
cytochrome P450 family 19 subfamily A member 1
DetailsGraph