Summary

IMPPAT Phytochemical identifier: IMPHY008027

Phytochemical name: Iridogermanal

Synonymous chemical names:
iridogermanal

External chemical identifiers:
CID:5458843, ChEMBL:CHEMBL1980941, SureChEMBL:SCHEMBL168540

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Chemical structure information

SMILES:
OCCCC1/C(=C(C=O)/C)/CCC(C1(C)CC/C=C(/CC/C=C(/CC(C=C(C)C)O)C)C)(C)O

InChI:
InChI=1S/C30H50O4/c1-22(2)19-26(33)20-24(4)12-8-11-23(3)13-9-16-29(6)28(14-10-18-31)27(25(5)21-32)15-17-30(29,7)34/h12-13,19,21,26,28,31,33-34H,8-11,14-18,20H2,1-7H3/b23-13+,24-12+,27-25-

InChIKey:
CMKAMRUVQONAPO-FALQBROGSA-N

DeepSMILES:
OCCCC/C=CC=O))/C))/CCCC6C)CC/C=C/CC/C=C/CCC=CC)C)))O)))C)))))C))))))C)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC1

Scaffold Graph/Node level:
CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesterterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Acyclic triterpenoids

NP-Likeness score: 3.252

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Chemical structure download