Summary

IMPPAT Phytochemical identifier: IMPHY015098

Phytochemical name: trans-Verbenol

Synonymous chemical names:
irans-verbenol, trans-verbenol, verbenol, trans

External chemical identifiers:
CID:89664, ZINC:ZINC000002242636, FDASRS:5E8197JSI1, SureChEMBL:SCHEMBL1065045

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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+/m1/s1

InChIKey:
WONIGEXYPVIKFS-VGMNWLOBSA-N

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

Functional groups:
CC(C)=CC, 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