Summary

IMPPAT Phytochemical identifier: IMPHY015062

Phytochemical name: (+)-cis-Sabinol

Synonymous chemical names:
cis-sabinol, sabinol, sabinol (3)*, sabinol†

External chemical identifiers:
CID:94147, ChEBI:15387, ZINC:ZINC000004095827, FDASRS:40873MPA3A, SureChEMBL:SCHEMBL1356240

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Chemical structure information

SMILES:
CC([C@]12C[C@@H]2C(=C)[C@@H](C1)O)C

InChI:
InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8-9,11H,3-5H2,1-2H3/t8-,9-,10+/m1/s1

InChIKey:
MDFQXBNVOAKNAY-BBBLOLIVSA-N

DeepSMILES:
CC[C@@]C[C@@H]3C=C)[C@@H]C6)O))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CC12

Scaffold Graph/Node level:
CC1CCC2CC12

Scaffold Graph level:
CC1CCC2CC12

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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, Thujane monoterpenoids

NP-Likeness score: 3.34

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Chemical structure download