Summary

IMPPAT Phytochemical identifier: IMPHY017593

Phytochemical name: 6,12-Epoxyspiroax-4-ene

Synonymous chemical names:
6,12-epoxy-spiroax-4-ene

External chemical identifiers:
CID:6428361

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Chemical structure information

SMILES:
CC1=C[C@]2(CC1)[C@H](C)CCC1C2OC[C@@H]1C

InChI:
InChI=1S/C15H24O/c1-10-6-7-15(8-10)12(3)4-5-13-11(2)9-16-14(13)15/h8,11-14H,4-7,9H2,1-3H3/t11-,12+,13?,14?,15+/m0/s1

InChIKey:
HEQABJJODXEQEX-FKQQDJLNSA-N

DeepSMILES:
CC=C[C@]CC5))[C@H]C)CCCC6OC[C@@H]5C

Functional groups:
CC(C)=CC, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2(CC1)CCCC1CCOC12

Scaffold Graph/Node level:
C1CCC2(C1)CCCC1CCOC12

Scaffold Graph level:
C1CC2CCCC3(CCCC3)C2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Spiroaxane sesquiterpenoids

NP-Likeness score: 2.869

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Chemical structure download