Summary

IMPPAT Phytochemical identifier: IMPHY014580

Phytochemical name: 11beta,13-Dihydrosalonitenolide

Synonymous chemical names:
11β,13-dihydrosalonitenolide

External chemical identifiers:
CID:101634636

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Chemical structure information

SMILES:
CC(=O)OC/C/1=C/[C@H]2OC(=O)[C@H]([C@@H]2[C@H](C/C(=CCC1)/C)OC(=O)C)C

InChI:
InChI=1S/C19H26O6/c1-11-6-5-7-15(10-23-13(3)20)9-17-18(12(2)19(22)25-17)16(8-11)24-14(4)21/h6,9,12,16-18H,5,7-8,10H2,1-4H3/b11-6-,15-9+/t12-,16-,17+,18+/m0/s1

InChIKey:
PMYTWBUCBFNKSN-JGNCHMRASA-N

DeepSMILES:
CC=O)OC/C=C/[C@H]OC=O)[C@H][C@@H]5[C@H]C/C=CCC%13)))/C)))OC=O)C)))))C

Functional groups:
C/C(C)=CC, C/C=C(C)C, CC(=O)OC, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCC=CCCC=CC2O1

Scaffold Graph/Node level:
OC1CC2CCCCCCCCC2O1

Scaffold Graph level:
CC1CC2CCCCCCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Germacrane sesquiterpenoids

NP-Likeness score: 2.878

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Chemical structure download