Summary

IMPPAT Phytochemical identifier: IMPHY017823

Phytochemical name: 6-Guaien-10-ol

Synonymous chemical names:
cis-guai-6-en-10-ol

External chemical identifiers:
CID:91747157

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Chemical structure information

SMILES:
CC(C1=CC2C(C)CCC2C(CC1)(C)O)C

InChI:
InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)13(14)9-12/h9-11,13-14,16H,5-8H2,1-4H3

InChIKey:
TUFHRGQKTXJXPF-UHFFFAOYSA-N

DeepSMILES:
CCC=CCCC)CCC5CCC%10))C)O)))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCC2CCC1

Scaffold Graph/Node level:
C1CCC2CCCC2CC1

Scaffold Graph level:
C1CCC2CCCC2CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids, Guaiane sesquiterpenoids

NP-Likeness score: 2.998

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Chemical structure download