Summary

IMPPAT Phytochemical identifier: IMPHY002809

Phytochemical name: Gibberellin A39

Synonymous chemical names:
gibberellin a39

External chemical identifiers:
CID:14833726, ChEBI:172630

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Chemical structure information

SMILES:
OC1CC2C3(CC1C(=C)C3)C(C1C2(CCC(C1(C)C(=O)O)O)C(=O)O)C(=O)O

InChI:
InChI=1S/C20H26O8/c1-8-6-19-7-9(8)10(21)5-11(19)20(17(27)28)4-3-12(22)18(2,16(25)26)14(20)13(19)15(23)24/h9-14,21-22H,1,3-7H2,2H3,(H,23,24)(H,25,26)(H,27,28)

InChIKey:
LKLDZCIWUDJQCF-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC6C=C)C5))))CCC5CCCC6C)C=O)O)))O))))C=O)O))))C=O)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC23CC1CCC2C1CCCCC1C3

Scaffold Graph/Node level:
CC1CC23CC1CCC2C1CCCCC1C3

Scaffold Graph level:
CC1CC23CC1CCC2C1CCCCC1C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Gibberellins

NP-Likeness score: 3.139

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Chemical structure download