Summary

IMPPAT Phytochemical identifier: IMPHY002951

Phytochemical name: 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-

Synonymous chemical names:
2,6,6-trimethyl-2-vinyl-5-hydroxy-tetrahydropyran, cnidiol c, epoxylinalol

External chemical identifiers:
CID:26396, ChEBI:144708, SureChEMBL:SCHEMBL309187, MolPort-006-120-865

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Chemical structure information

SMILES:
C=CC1(C)CCC(C(O1)(C)C)O

InChI:
InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3

InChIKey:
BCTBAGTXFYWYMW-UHFFFAOYSA-N

DeepSMILES:
C=CCC)CCCCO6)C)C))O

Functional groups:
C=CC, CO, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOCC1

Scaffold Graph/Node level:
C1CCOCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 3.295

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Chemical structure download