Summary

IMPPAT Phytochemical identifier: IMPHY017622

Phytochemical name: 3,6-diepi-6,9-Epoxyfarnesa-1,7(14),10-trien-3-ol

Synonymous chemical names:
3,6-diepi-6,9-epoxyfarnesa-1,7(14),10-trien-3-ol, 3-epi-6,9-epoxyfarnesa-1,7(14),10-trien-3-ol, 6,9-epoxyfarnesa-1,7(14),10-trien-3-ol, 6-epi-6,9-epoxyfarnesa-1,7(14),10-trien-3-ol

External chemical identifiers:
CID:6429156

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Chemical structure information

SMILES:
C=CC(CCC1OC(CC1=C)C=C(C)C)(O)C

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

InChIKey:
LJPFBTWRZZGKFP-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCOCCC5=C)))C=CC)C))))))))O)C

Functional groups:
C=C(C)C, C=CC, CC=C(C)C, CO, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCOC1

Scaffold Graph/Node level:
CC1CCOC1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene glycosides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids, Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids, Farnesane sesquiterpenoids

NP-Likeness score: 2.313

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Chemical structure download