Summary

IMPPAT Phytochemical identifier: IMPHY012665

Phytochemical name: Levomenol

Synonymous chemical names:
(-)-α-bisabolol, alpha bisabolol, alpha bisabolol (-), alpha-bisabolol, alpha-bisabolol*, levomenol, α- bisabolol, α-bisabolol

External chemical identifiers:
CID:442343, ChEMBL:CHEMBL1096927, ChEBI:125, ZINC:ZINC000001849759, FDASRS:24WE03BX2T, SureChEMBL:SCHEMBL24989, MolPort-006-123-991

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Chemical structure information

SMILES:
CC(=CCC[C@@]([C@H]1CCC(=CC1)C)(O)C)C

InChI:
InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1

InChIKey:
RGZSQWQPBWRIAQ-CABCVRRESA-N

DeepSMILES:
CC=CCC[C@@][C@H]CCC=CC6))C)))))O)C)))))C

Functional groups:
CC=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Bisabolane sesquiterpenoids

NP-Likeness score: 2.814

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Chemical structure download