Summary

IMPPAT Phytochemical identifier: IMPHY013591

Phytochemical name: Epoxyparvinolide

Synonymous chemical names:
epoxyparvinolide

External chemical identifiers:
CID:91895389, MolPort-035-706-212

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Chemical structure information

SMILES:
C=C1CCC2OC2(CC[C@@H]2[C@@H]1OC(=O)C2(C)C)C

InChI:
InChI=1S/C15H22O3/c1-9-5-6-11-15(4,18-11)8-7-10-12(9)17-13(16)14(10,2)3/h10-12H,1,5-8H2,2-4H3/t10-,11?,12-,15?/m1/s1

InChIKey:
RJLKXMONMKZDGP-NGWKBDRKSA-N

DeepSMILES:
C=CCCCOC3CC[C@@H][C@@H]%10OC=O)C5C)C))))))))C

Functional groups:
C=C(C)C, CC(=O)OC, CC1OC1(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2OC2CCC2CC(=O)OC12

Scaffold Graph/Node level:
CC1CCC2OC2CCC2CC(O)OC12

Scaffold Graph level:
CC1CC2CCC3CC3CCC(C)C2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

ClassyFire Subclass: Gamma butyrolactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Caryophyllane sesquiterpenoids

NP-Likeness score: 3.113

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Chemical structure download