Summary

IMPPAT Phytochemical identifier: IMPHY016661

Phytochemical name: Funebren-15-al

Synonymous chemical names:
funebren-15-al

External chemical identifiers:
CID:91752697

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Chemical structure information

SMILES:
O=C[C@@H]1CC[C@@H]2[C@]31CC=C([C@@H](C3)C2(C)C)C

InChI:
InChI=1S/C15H22O/c1-10-6-7-15-8-12(10)14(2,3)13(15)5-4-11(15)9-16/h6,9,11-13H,4-5,7-8H2,1-3H3/t11-,12+,13-,15+/m0/s1

InChIKey:
AHJHOWWDJLNMRP-SFDCQRBFSA-N

DeepSMILES:
O=C[C@@H]CC[C@@H][C@@]5CC=C[C@@H]C6)C7C)C)))C

Functional groups:
CC=C(C)C, CC=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC3CCCC3(C1)C2

Scaffold Graph/Node level:
C1CC2CC3CCCC3(C1)C2

Scaffold Graph level:
C1CC2CC3CCCC3(C1)C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cedrane and Isocedrane sesquiterpenoids

NP-Likeness score: 3.477

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Chemical structure download