Summary

IMPPAT Phytochemical identifier: IMPHY013026

Phytochemical name: Gibberellin A13

Synonymous chemical names:
gibberellin a13

External chemical identifiers:
CID:10883375, ChEBI:72598, ZINC:ZINC000059211674, SureChEMBL:SCHEMBL10779830

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Chemical structure information

SMILES:
C=C1C[C@@]23C[C@H]1CC[C@H]3[C@]1([C@H]([C@@H]2C(=O)O)[C@](C)(C(=O)O)[C@H](CC1)O)C(=O)O

InChI:
InChI=1S/C20H26O7/c1-9-7-19-8-10(9)3-4-11(19)20(17(26)27)6-5-12(21)18(2,16(24)25)14(20)13(19)15(22)23/h10-14,21H,1,3-8H2,2H3,(H,22,23)(H,24,25)(H,26,27)/t10-,11-,12+,13-,14-,18-,19+,20-/m1/s1

InChIKey:
UYRCHWLYXIQJKK-HMRRIYTKSA-N

DeepSMILES:
C=CC[C@]C[C@H]5CC[C@H]6[C@][C@H][C@@H]9C=O)O)))[C@]C)C=O)O))[C@H]CC6))O))))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: 3.007

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Chemical structure download