Summary

IMPPAT Phytochemical identifier: IMPHY006431

Phytochemical name: gibberellin A17

Synonymous chemical names:
gibberellin a(ga17), gibberellin a17, gibberellin ga17

External chemical identifiers:
CID:5460657, ChEBI:24236, ZINC:ZINC000033914447

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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)(CCC[C@@]2(C)C(=O)O)C(=O)O

InChI:
InChI=1S/C20H26O7/c1-10-8-18-9-19(10,27)7-4-11(18)20(16(25)26)6-3-5-17(2,15(23)24)13(20)12(18)14(21)22/h11-13,27H,1,3-9H2,2H3,(H,21,22)(H,23,24)(H,25,26)/t11-,12-,13-,17-,18+,19+,20-/m1/s1

InChIKey:
AUKMHZZVLPQAOX-CDNFTCFOSA-N

DeepSMILES:
OC=O)[C@H][C@H][C@][C@H][C@@]5CC=C)[C@]C5)O)CC7)))))))CCC[C@@]6C)C=O)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: 3.022

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Chemical structure download