Summary

IMPPAT Phytochemical identifier: IMPHY014029

Phytochemical name: Urodiolenone

Synonymous chemical names:
urodiolenone

External chemical identifiers:
CID:3082691, ChEBI:174343

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Chemical structure information

SMILES:
OC[C@@](C1CCC2=CC(=O)C[C@H]([C@@]2(C1)C)C)(O)C

InChI:
InChI=1S/C15H24O3/c1-10-6-13(17)7-11-4-5-12(8-14(10,11)2)15(3,18)9-16/h7,10,12,16,18H,4-6,8-9H2,1-3H3/t10-,12?,14+,15+/m1/s1

InChIKey:
DJPISZPEZJGKKI-NLNMXKJXSA-N

DeepSMILES:
OC[C@@]CCCC=CC=O)C[C@H][C@@]6C%10)C))C)))))))))O)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2CCCCC2CC1

Scaffold Graph/Node level:
OC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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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: Eremophilane sesquiterpenoids

NP-Likeness score: 2.666

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Chemical structure download