Summary

IMPPAT Phytochemical identifier: IMPHY015409

Phytochemical name: 5-Guaiene-11-ol

Synonymous chemical names:
5-guaiene-11-ol

External chemical identifiers:
CID:91747222

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Chemical structure information

SMILES:
CC1CC[C@@H]2C1=C[C@@H](CCC2C)C(O)(C)C

InChI:
InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h9-13,16H,5-8H2,1-4H3/t10?,11?,12-,13+/m1/s1

InChIKey:
JSCBEOXFGCAOKV-TUUUFIMRSA-N

DeepSMILES:
CCCC[C@@H]C5=C[C@@H]CCC7C))))CO)C)C

Functional groups:
CC(C)=CC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCC2CCCC1

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: Guaiane sesquiterpenoids

NP-Likeness score: 2.552

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Chemical structure download