Summary

IMPPAT Phytochemical identifier: IMPHY013545

Phytochemical name: Sapidolide A

Synonymous chemical names:
sapidolide a

External chemical identifiers:
CID:85214158, ChEBI:167931

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Chemical structure information

SMILES:
C=CC1C2OC(=O)C1C1(C3(C2(O)OCC3CC1)C)O

InChI:
InChI=1S/C14H18O5/c1-3-8-9-11(15)19-10(8)14(17)12(2)7(6-18-14)4-5-13(9,12)16/h3,7-10,16-17H,1,4-6H2,2H3

InChIKey:
OZRZMHKATMSFPV-UHFFFAOYSA-N

DeepSMILES:
C=CCCOC=O)C5CCC7O)OCC5CC8))))))C))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OC2CC1C1CCC3COC2C31

Scaffold Graph/Node level:
OC1OC2CC1C1CCC3COC2C31

Scaffold Graph level:
CC1CC2CC1C1CCC3CCC2C31

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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: Picrotoxane sesquiterpenoids

NP-Likeness score: 3.168

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Chemical structure download