Summary

IMPPAT Phytochemical identifier: IMPHY017859

Phytochemical name: 1beta-Acetoxyfurano-4(15)-eudesmene

Synonymous chemical names:
1β-acetoxyfurano-4(15)-eudesmene

External chemical identifiers:
CID:91749466

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Chemical structure information

SMILES:
CC(=O)O[C@H]1CCC(=C)C2[C@@]1(C)CC1OC=C(C1C2)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/h9,13-16H,1,5-8H2,2-4H3/t13?,14?,15?,16-,17+/m0/s1

InChIKey:
OXDNGGSXVJGGNR-LSSJBHJESA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CC3OC=CC3CC12

Scaffold Graph/Node level:
CC1CCCC2CC3OCCC3CC12

Scaffold Graph level:
CC1CCCC2CC3CCCC3CC12

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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: 3.217

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Chemical structure download