Summary

IMPPAT Phytochemical identifier: IMPHY008682

Phytochemical name: Gibberellin A77

Synonymous chemical names:
gibberellin ga77

External chemical identifiers:
CID:131752128, ChEBI:175419

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Chemical structure information

SMILES:
OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)C(C4)O)CCCC2(C)C(=O)O3

InChI:
InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)11(20)6-10(17)19-5-3-4-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)

InChIKey:
BQOOPWCLYXZXSL-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCCCC5CC=C)CC5)O)CC7)O)))))))CCCC6C)C=O)O7

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: 3.622

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Chemical structure download