Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018058

Phytochemical name: Junicedranone

Synonymous chemical names:
Junicedranone

Chemical structure information

SMILES:
O=C1C[C@]23[C@]([C@@]1(C)CC2)(C)CCCC3(C)C

InChI:
InChI=1S/C15H24O/c1-12(2)6-5-7-14(4)13(3)8-9-15(12,14)10-11(13)16/h5-10H2,1-4H3/t13-,14+,15+/m0/s1

InChIKey:
IPBMEIKAKOEQLM-RRFJBIMHSA-N

DeepSMILES:
O=CC[C@][C@][C@@]5C)CC5)))C)CCCC6C)C

Functional groups:
CC(=O)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC23CCCCC2C1CC3

Scaffold Graph/Node level:
OC1CC23CCCCC2C1CC3

Scaffold Graph level:
CC1CC23CCCCC2C1CC3

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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: Thujopsane sesquiterpenoids

NP-Likeness score: 2.206

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Chemical structure download