Summary

IMPPAT Phytochemical identifier: IMPHY014271

Phytochemical name: Armexifolin

Synonymous chemical names:
1-epi-ludovicin c

External chemical identifiers:
CID:13918461, ChEBI:174461

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Chemical structure information

SMILES:
C=C1C(=O)OC2C1CCC1(C2=C(C)C(=O)CC1O)C

InChI:
InChI=1S/C15H18O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h9,11,13,17H,1,4-6H2,2-3H3

InChIKey:
QPXLDBMZJNDASA-UHFFFAOYSA-N

DeepSMILES:
C=CC=O)OCC5CCCC6=CC)C=O)CC6O))))))C

Functional groups:
C=C1CCOC1=O, CC(=O)C(C)=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)OC2C3=CC(=O)CCC3CCC12

Scaffold Graph/Node level:
CC1C(O)OC2C3CC(O)CCC3CCC12

Scaffold Graph level:
CC1CCC2CCC3C(C)C(C)CC3C2C1

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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: Eudesmane sesquiterpenoids

NP-Likeness score: 3.434

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Chemical structure download