Summary

IMPPAT Phytochemical identifier: IMPHY008080

Phytochemical name: Gibberellin A19

Synonymous chemical names:
gibberellin a(ga19), gibberellin a19, gibberellin ga 19, gibberellin ga19

External chemical identifiers:
CID:5460209, ChEBI:28731, ZINC:ZINC000033913813, SureChEMBL:SCHEMBL11413048

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Chemical structure information

SMILES:
O=C[C@]12CCC[C@@]([C@H]2[C@@H]([C@@]23[C@H]1CC[C@](C3)(C(=C)C2)O)C(=O)O)(C)C(=O)O

InChI:
InChI=1S/C20H26O6/c1-11-8-19-9-20(11,26)7-4-12(19)18(10-21)6-3-5-17(2,16(24)25)14(18)13(19)15(22)23/h10,12-14,26H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14+,17+,18+,19-,20-/m0/s1

InChIKey:
VNCQCPQAMDQEBY-YTJHIPEWSA-N

DeepSMILES:
O=C[C@@]CCC[C@@][C@H]6[C@@H][C@][C@H]9CC[C@]C6)C=C)C7))O))))))C=O)O))))C)C=O)O

Functional groups:
C=C(C)C, CC(=O)O, CC=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: 3.276

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Chemical structure download