Summary

IMPPAT Phytochemical identifier: IMPHY010147

Phytochemical name: Cyclobutaneethanol, 2-isopropenyl-1-methyl-, cis-(+)-

Synonymous chemical names:
fragranol

External chemical identifiers:
CID:6432285, SureChEMBL:SCHEMBL7708509

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Chemical structure information

SMILES:
C[C@]1(CCO)CC[C@@H]1C(=C)C

InChI:
InChI=1S/C10H18O/c1-8(2)9-4-5-10(9,3)6-7-11/h9,11H,1,4-7H2,2-3H3/t9-,10-/m1/s1

InChIKey:
SJKPJXGGNKMRPD-NXEZZACHSA-N

DeepSMILES:
C[C@]CCO)))CC[C@@H]4C=C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC1

Scaffold Graph/Node level:
C1CCC1

Scaffold Graph level:
C1CCC1

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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: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: 2.622

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Chemical structure download