Summary

IMPPAT Phytochemical identifier: IMPHY010566

Phytochemical name: Isopterocarpolone

Synonymous chemical names:
(5r,7r,10s)-isopterocarpolone, isopterocarpolone

Chemical structure information

SMILES:
O=C1C=C(C)[C@H]2[C@@](C1)(C)CC[C@H](C2)C(O)(C)C

InChI:
InChI=1S/C15H24O2/c1-10-7-12(16)9-15(4)6-5-11(8-13(10)15)14(2,3)17/h7,11,13,17H,5-6,8-9H2,1-4H3/t11-,13+,15+/m1/s1

InChIKey:
FHYDKOXNQTYJEV-ZLDLUXBVSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2CCCCC2C1

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: Eudesmane sesquiterpenoids

NP-Likeness score: 2.854

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Chemical structure download