Summary

IMPPAT Phytochemical identifier: IMPHY008683

Phytochemical name: Gibberellin A86

Synonymous chemical names:
gibberellin ga86

External chemical identifiers:
CID:131752375, ChEBI:168503

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Chemical structure information

SMILES:
OC(=O)C1C2C3(C4C51CC(C(=C)C5O)(O)C(C4)O)CCC(C2(C)C(=O)O3)O

InChI:
InChI=1S/C19H24O8/c1-7-13(22)17-6-18(7,26)10(21)5-8(17)19-4-3-9(20)16(2,15(25)27-19)12(19)11(17)14(23)24/h8-13,20-22,26H,1,3-6H2,2H3,(H,23,24)

InChIKey:
JMGSTZUVIHCAAA-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCCCC5CCC=C)C5O)))O)CC6)O))))))CCCC6C)C=O)O7)))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC23CC1CCC2C12CCCC(C(=O)O1)C2C3

Scaffold Graph/Node level:
CC1CC23CC1CCC2C12CCCC(C(O)O1)C2C3

Scaffold Graph level:
CC1CC23CC1CCC2C12CCCC(C(C)C1)C2C3

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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: 3.092

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Chemical structure download