Summary

IMPPAT Phytochemical identifier: IMPHY017664

Phytochemical name: Naphtho(1,2-c)furan-1(3H)-one, 4,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-, trans-

Synonymous chemical names:
isodrimenin

External chemical identifiers:
CID:6451304

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Chemical structure information

SMILES:
O=C1OCC2=C1[C@@]1(C)CCCC([C@@H]1CC2)(C)C

InChI:
InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)11(14)6-5-10-9-17-13(16)12(10)15/h11H,4-9H2,1-3H3/t11-,15-/m0/s1

InChIKey:
MEGPFBRAROUGQD-NHYWBVRUSA-N

DeepSMILES:
O=COCC=C5[C@@]C)CCCC[C@@H]6CC%10)))C)C

Functional groups:
CC1=C(C)C(=O)OC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCC2=C1C1CCCCC1CC2

Scaffold Graph/Node level:
OC1OCC2CCC3CCCCC3C21

Scaffold Graph level:
CC1CCC2CCC3CCCCC3C12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Drimane sesquiterpenoids

NP-Likeness score: 3.004

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Chemical structure download