Summary

IMPPAT Phytochemical identifier: IMPHY006478

Phytochemical name: 15-nor-Funebran-3-one

Synonymous chemical names:
15-nor-funebran-3-one

External chemical identifiers:
CID:6428352

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Chemical structure information

SMILES:
O=C1CC[C@@]23C[C@@H]1C(C)(C)C2CC[C@@H]3C

InChI:
InChI=1S/C14H22O/c1-9-4-5-12-13(2,3)10-8-14(9,12)7-6-11(10)15/h9-10,12H,4-8H2,1-3H3/t9-,10-,12?,14-/m0/s1

InChIKey:
LHRXTEZLJOREFX-JCQLROARSA-N

DeepSMILES:
O=CCC[C@@]C[C@@H]6CC)C)C5CC[C@@H]8C

Functional groups:
CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC23CCCC2CC1C3

Scaffold Graph/Node level:
OC1CCC23CCCC2CC1C3

Scaffold Graph level:
CC1CCC23CCCC2CC1C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cedrane and Isocedrane sesquiterpenoids, Prezizaane sesquiterpenoids

NP-Likeness score: 3.045

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Chemical structure download