Summary

IMPPAT Phytochemical identifier: IMPHY017858

Phytochemical name: 1beta-Acetoxyfurano-3-eudesmene

Synonymous chemical names:
1β-acetoxyfurano-3-eudesmene

External chemical identifiers:
CID:91749465

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Chemical structure information

SMILES:
CC(=O)O[C@H]1CC=C(C2[C@@]1(C)CC1OC=C(C1C2)C)C

InChI:
InChI=1S/C17H24O3/c1-10-5-6-16(20-12(3)18)17(4)8-15-13(7-14(10)17)11(2)9-19-15/h5,9,13-16H,6-8H2,1-4H3/t13?,14?,15?,16-,17+/m0/s1

InChIKey:
YXXLPORTKKMOGV-LSSJBHJESA-N

DeepSMILES:
CC=O)O[C@H]CC=CC[C@@]6C)CCOC=CC5C9))C))))))))C

Functional groups:
CC(=O)OC, CC1=COCC1, CC=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC3C=COC3CC2CC1

Scaffold Graph/Node level:
C1CCC2CC3OCCC3CC2C1

Scaffold Graph level:
C1CCC2CC3CCCC3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eudesmane sesquiterpenoids

NP-Likeness score: 3.006

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Chemical structure download