Summary

IMPPAT Phytochemical identifier: IMPHY017150

Phytochemical name: (1R,5R)-4-(furan-2-yl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-ene

Synonymous chemical names:
c15h20o2

External chemical identifiers:
CID:16396338, MolPort-002-511-739

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Chemical structure information

SMILES:
CC1=CC(C)[C@@H]2C([C@H]1C(OC2)c1ccco1)C

InChI:
InChI=1S/C15H20O2/c1-9-7-10(2)14-11(3)12(9)8-17-15(14)13-5-4-6-16-13/h4-7,9,11-12,14-15H,8H2,1-3H3/t9?,11?,12-,14+,15?/m1/s1

InChIKey:
KGXZCJHFZYYKMQ-GMOJYXOHSA-N

DeepSMILES:
CC=CCC)[C@@H]C[C@H]6COC6))cccco5)))))))C

Functional groups:
CC=C(C)C, COC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC(C1)COC2c1ccco1

Scaffold Graph/Node level:
C1CC2COC(C3CCCO3)C(C1)C2

Scaffold Graph level:
C1CCC(C2CCC3CCCC2C3)C1

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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: Guaiane sesquiterpenoids

NP-Likeness score: 1.159

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Chemical structure download