Summary

IMPPAT Phytochemical identifier: IMPHY016569

Phytochemical name: cis-4,10-epoxy-Amorphane

Synonymous chemical names:
cis-4,10-epoxy amorphane, cis-4,10-epoxy-amorphane

External chemical identifiers:
CID:91746686

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Chemical structure information

SMILES:
CC([C@H]1CCC2(C3C1C[C@](O2)(C)CC3)C)C

InChI:
InChI=1S/C15H26O/c1-10(2)11-5-8-15(4)13-6-7-14(3,16-15)9-12(11)13/h10-13H,5-9H2,1-4H3/t11-,12?,13?,14+,15?/m1/s1

InChIKey:
GRFWMFZRMJAPKB-HADJJHBGSA-N

DeepSMILES:
CC[C@H]CCCCC6C[C@]O6)C)CC6))))))C)))))C

Functional groups:
COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC3CCC2C(C1)O3

Scaffold Graph/Node level:
C1CC2CC3CCC2C(C1)O3

Scaffold Graph level:
C1CC2CC3CCC2C(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: Cadinane sesquiterpenoids

NP-Likeness score: 3.101

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Chemical structure download