Summary

IMPPAT Phytochemical identifier: IMPHY002336

Phytochemical name: Khusinol oxide

Synonymous chemical names:
khusinol oxide

Chemical structure information

SMILES:
CC1=C[C@H]2[C@H]([C@@H](C1)O)[C@@]1(CC[C@@H]2C(C)C)CO1

InChI:
InChI=1S/C15H24O2/c1-9(2)11-4-5-15(8-17-15)14-12(11)6-10(3)7-13(14)16/h6,9,11-14,16H,4-5,7-8H2,1-3H3/t11-,12-,13-,14-,15-/m1/s1

InChIKey:
QDTYMXJKSUYKAQ-KJWHEZOQSA-N

DeepSMILES:
CC=C[C@H][C@H][C@@H]C6)O))[C@@]CC[C@@H]6CC)C)))))CO3

Functional groups:
CC(C)=CC, CO, C[C@]1(C)CO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCC3(CO3)C2CC1

Scaffold Graph/Node level:
C1CCC2C(C1)CCCC21CO1

Scaffold Graph level:
C1CCC2C(C1)CCCC21CC1

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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: Cadinane sesquiterpenoids

NP-Likeness score: 3.036

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Chemical structure download