Summary

IMPPAT Phytochemical identifier: IMPHY006110

Phytochemical name: Vicolide A

Synonymous chemical names:
vicolide a

External chemical identifiers:
CID:5477684

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Chemical structure information

SMILES:
C/C=C(/C(=O)OC1C(O)C2C(C3C(C1C)C(=O)C=C3C)OC(=O)C2=C)C

InChI:
InChI=1S/C20H24O6/c1-6-8(2)19(23)25-17-10(4)14-12(21)7-9(3)13(14)18-15(16(17)22)11(5)20(24)26-18/h6-7,10,13-18,22H,5H2,1-4H3/b8-6+

InChIKey:
AECULMKGNBGPKV-SOFGYWHQSA-N

DeepSMILES:
C/C=C/C=O)OCCO)CCCCC7C))C=O)C=C5C))))))OC=O)C5=C))))))))))C

Functional groups:
C/C=C(C)C(=O)OC, C=C1CCOC1=O, CC1=CC(=O)CC1, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)OC2C1CCCC1C(=O)C=CC12

Scaffold Graph/Node level:
CC1C(O)OC2C1CCCC1C(O)CCC12

Scaffold Graph level:
CC1CC2C(CCCC3C(C)CCC32)C1C

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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: Guaiane sesquiterpenoids

NP-Likeness score: 3.092

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Chemical structure download