Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000657

Phytochemical name: (S)-cis-Verbenol

Synonymous chemical names:
cis-verbenol, (S)-cis-Verbenol, (s)-cis-verbeneol, cis-verbenol*

External chemical identifiers:
CID:CID_87839, ZINC:ZINC000004410593, FDASRS:XR9T57F48T, SureChEMBL:SCHEMBL1302577, MolPort-029-945-688

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Chemical structure information

SMILES:
CC1=C[C@H](O)[C@H]2C[C@@H]1C2(C)C

InChI:
InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9-/m0/s1

InChIKey:
WONIGEXYPVIKFS-YIZRAAEISA-N

DeepSMILES:
CC=C[C@H]O)[C@H]C[C@@H]6C4C)C

Functional groups:
CC(=CC)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC(C1)C2

Scaffold Graph/Node level:
C1CC2CC(C1)C2

Scaffold Graph level:
C1CC2CC(C1)C2

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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: Pinane monoterpenoids

NP-Likeness score: 3.334

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Chemical structure download