Summary

IMPPAT Phytochemical identifier: IMPHY008072

Phytochemical name: Gibberellin A76

Synonymous chemical names:
gibberellin a76

External chemical identifiers:
CID:14583170, ChEBI:175664

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Chemical structure information

SMILES:
OC1CC23OC(=O)C(C1)(C3C(C13C2CCC(C1)(C(=C)C3O)O)C(=O)O)C

InChI:
InChI=1S/C19H24O7/c1-8-13(21)18-7-17(8,25)4-3-10(18)19-6-9(20)5-16(2,15(24)26-19)12(19)11(18)14(22)23/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23)

InChIKey:
MVTFVUOAPQNRRR-UHFFFAOYSA-N

DeepSMILES:
OCCCOC=O)CC7)C5CCC8CCCC6)C=C)C7O)))O))))))C=O)O))))C

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: 3.224

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Chemical structure download