Summary

IMPPAT Phytochemical identifier: IMPHY011988

Phytochemical name: (-)-trans-Carveol

Synonymous chemical names:
(-)-trans-carveol, carveol (trans), e-caryophylene, trans-carveol

External chemical identifiers:
CID:94221, ChEMBL:CHEMBL1907992, ChEBI:15389, ZINC:ZINC000000967810, FDASRS:W241K84ZSQ, SureChEMBL:SCHEMBL564464

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Chemical structure information

SMILES:
CC(=C)[C@@H]1CC=C([C@H](C1)O)C

InChI:
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1

InChIKey:
BAVONGHXFVOKBV-ZJUUUORDSA-N

DeepSMILES:
CC=C)[C@@H]CC=C[C@H]C6)O))C

Functional groups:
C=C(C)C, 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: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 2.969

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Chemical structure download