Summary

IMPPAT Phytochemical identifier: IMPHY003460

Phytochemical name: Gibberellin A53

Synonymous chemical names:
gibberellin a53, gibberellin ga53

External chemical identifiers:
CID:440914, ChEBI:27433, ZINC:ZINC000004097024

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Chemical structure information

SMILES:
OC(=O)[C@H]1[C@H]2[C@@]([C@H]3[C@]41CC(=C)[C@](C4)(O)CC3)(C)CCC[C@@]2(C)C(=O)O

InChI:
InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,17-,18+,19-,20-/m0/s1

InChIKey:
CZEMYYICWZPENF-VOLTXKGXSA-N

DeepSMILES:
OC=O)[C@H][C@H][C@@][C@H][C@@]5CC=C)[C@]C5)O)CC7)))))))C)CCC[C@@]6C)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: 3.238

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Chemical structure download