Summary

IMPPAT Phytochemical identifier: IMPHY001163

Phytochemical name: Isokhusinol oxide

Synonymous chemical names:
isokhusinol oxide, isokhusinoloxide

External chemical identifiers:
CID:101967146

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Chemical structure information

SMILES:
CC([C@H]1CCC(=C)[C@@H]2[C@@H]1[C@@H]1O[C@@]1(C[C@H]2O)C)C

InChI:
InChI=1S/C15H24O2/c1-8(2)10-6-5-9(3)12-11(16)7-15(4)14(17-15)13(10)12/h8,10-14,16H,3,5-7H2,1-2,4H3/t10-,11-,12+,13-,14+,15-/m1/s1

InChIKey:
AHJPSRZCTZKFJR-JSLGZRHDSA-N

DeepSMILES:
CC[C@H]CCC=C)[C@@H][C@@H]6[C@@H]O[C@@]3C[C@H]7O)))C))))))))))C

Functional groups:
C=C(C)C, CO, C[C@@]1(C)O[C@H]1C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2C1CCC1OC12

Scaffold Graph/Node level:
CC1CCCC2C1CCC1OC12

Scaffold Graph level:
CC1CCCC2C1CCC1CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Guaiane sesquiterpenoids

NP-Likeness score: 3.451

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Chemical structure download