Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018290

Phytochemical name: Gamma-gurjunenepoxide

Synonymous chemical names:
gamma-Gurjunenepoxide

External chemical identifiers:
CID:CID_91750050

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Chemical structure information

SMILES:
C[C@H]1CCC2[C@@H](C34C1CCC4(O3)C)C2(C)C

InChI:
InChI=1S/C15H24O/c1-9-5-6-11-12(13(11,2)3)15-10(9)7-8-14(15,4)16-15/h9-12H,5-8H2,1-4H3/t9-,10?,11?,12+,14?,15?/m0/s1

InChIKey:
LUFORWLKICOOBH-UGPICZAJSA-N

DeepSMILES:
C[C@H]CCC[C@@H]CC7CCC5O6)C))))))C3C)C

Functional groups:
CC1(C)OC1(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC2C23OC2CCC3C1

Scaffold Graph/Node level:
C1CC2CC2C23OC2CCC3C1

Scaffold Graph level:
C1CC2CC2C23CC2CCC3C1

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Chemical classification

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Aromadendrane sesquiterpenoids

NP-Likeness score: 2.726

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Chemical structure download