Summary

IMPPAT Phytochemical identifier: IMPHY002600

Phytochemical name: Gibberellin A61

Synonymous chemical names:
gibberellin a61

External chemical identifiers:
CID:14605550, ChEBI:142002, ZINC:ZINC000070454931

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Chemical structure information

SMILES:
OC(=O)[C@H]1[C@H]2[C@@]3([C@H]4[C@]51CC(=C)[C@@H](C5)CC4)OC(=O)[C@]2(C)CC[C@H]3O

InChI:
InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-12(20)5-6-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18+,19+/m1/s1

InChIKey:
JKQCGVABHHQYKQ-YZVDRFENSA-N

DeepSMILES:
OC=O)[C@H][C@H][C@@][C@H][C@@]5CC=C)[C@@H]C5)CC7)))))))OC=O)[C@]5C)CC[C@H]7O

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: 3.461

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Chemical structure download