Summary

IMPPAT Phytochemical identifier: IMPHY017604

Phytochemical name: (3R,7S,8R)-7,8-dimethyl-10-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecan-3-ol

Synonymous chemical names:
cryptofauronol

External chemical identifiers:
CID:6428530

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Chemical structure information

SMILES:
CC(C1C[C@]2(C)[C@@]3(CC1O[C@]2(O)CCC3)C)C

InChI:
InChI=1S/C15H26O2/c1-10(2)11-8-14(4)13(3)6-5-7-15(14,16)17-12(11)9-13/h10-12,16H,5-9H2,1-4H3/t11?,12?,13-,14+,15+/m0/s1

InChIKey:
UTNQUNGFEKWBQT-MMCPYJTDSA-N

DeepSMILES:
CCCC[C@]C)[C@@]CC6O[C@]6O)CCC8)))))))C)))))C

Functional groups:
CO[C@](C)(C)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC3CCC2C(C1)O3

Scaffold Graph/Node level:
C1CC2CC3CCC2C(C1)O3

Scaffold Graph level:
C1CC2CC3CCC2C(C1)C3

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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: Sesquiterpenoids

NP Classifier Class: Valerane sesquiterpenoids

NP-Likeness score: 1.998

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Chemical structure download