Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006446

Phytochemical name: 7,15-Epoxyprezizaane

Synonymous chemical names:
7,15-epoxyprezizaane

External chemical identifiers:
CID:CID_6428364

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Chemical structure information

SMILES:
C[C@H]1CCC2[C@@]31CC[C@H](C3)[C@]1(C2(C)C)CO1

InChI:
InChI=1S/C15H24O/c1-10-4-5-12-13(2,3)15(9-16-15)11-6-7-14(10,12)8-11/h10-12H,4-9H2,1-3H3/t10-,11+,12?,14-,15-/m0/s1

InChIKey:
GVJQGUYLTAQAMV-ZONIWEOESA-N

DeepSMILES:
C[C@H]CCC[C@]5CC[C@H]C5)[C@]C7C)C))CO3

Functional groups:
C[C@@]1(C)CO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC3(CO3)C3CCC2(C1)C3

Scaffold Graph/Node level:
C1CC2CC3(CO3)C3CCC2(C1)C3

Scaffold Graph level:
C1CC2CC3(CC3)C3CCC2(C1)C3

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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: Cedrane and Isocedrane sesquiterpenoids

NP-Likeness score: 3.017

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Chemical structure download