Summary

IMPPAT Phytochemical identifier: IMPHY009857

Phytochemical name: (+)-Norpatchoulenol

Synonymous chemical names:
norpatchoulenol

External chemical identifiers:
CID:6451732, SureChEMBL:SCHEMBL4935856

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Chemical structure information

SMILES:
CC1(C)[C@H]2CC[C@]3([C@@]1(O)CC=C[C@H]3C2)C

InChI:
InChI=1S/C14H22O/c1-12(2)10-6-8-13(3)11(9-10)5-4-7-14(12,13)15/h4-5,10-11,15H,6-9H2,1-3H3/t10-,11-,13+,14+/m0/s1

InChIKey:
OSQSDJNIURJARY-CDGCEXEKSA-N

DeepSMILES:
CCC)[C@H]CC[C@][C@@]6O)CC=C[C@H]6C%10))))))C

Functional groups:
CC=CC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC3CCC2C(C1)C3

Scaffold Graph/Node level:
C1CC2CC3CCC2C(C1)C3

Scaffold Graph level:
C1CC2CC3CCC2C(C1)C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Patchoulane sesquiterpenoids

NP-Likeness score: 2.666

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Chemical structure download