Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003705

Phytochemical name: Artabsinolide D

Synonymous chemical names:
artabsinolide d

External chemical identifiers:
CID:CID_131751640, ChEBI:CHEBI:174699

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Chemical structure information

SMILES:
O=C1OC2C(C1C)CCC(C1=C2C(C)(O)CC1O)(C)O

InChI:
InChI=1S/C15H22O5/c1-7-8-4-5-14(2,18)10-9(16)6-15(3,19)11(10)12(8)20-13(7)17/h7-9,12,16,18-19H,4-6H2,1-3H3

InChIKey:
YZKOCDPFUHYTHX-UHFFFAOYSA-N

DeepSMILES:
O=COCCC5C))CCCC=C7CC)O)CC5O))))))C)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCC3=C(CCC3)C2O1

Scaffold Graph/Node level:
OC1CC2CCCC3CCCC3C2O1

Scaffold Graph level:
CC1CC2CCCC3CCCC3C2C1

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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: Guaiane sesquiterpenoids

NP-Likeness score: 2.893

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Chemical structure download