Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID010522

Phytochemical name: Gibberellin ga45

Synonymous chemical names:
gibberellin ga45

External chemical identifiers:
CID:CID_101603116, ChEBI:CHEBI:142003

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Chemical structure information

SMILES:
OC(=O)[C@H]1[C@H]2[C@]3([C@H]4[C@@]51C[C@H](C(=C)[C@H]5O)CC4)CCC[C@@]2(C)C(=O)O3

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

InChIKey:
MBNDVMTZEKAWKP-CFHXUCNZSA-N

DeepSMILES:
OC=O)[C@H][C@H][C@][C@H][C@]5C[C@H]C=C)[C@H]5O)))CC6))))))CCC[C@@]6C)C=O)O7

Functional groups:
CC(=O)O, C=C(C)C, CO, COC(=O)C

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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: 3.549

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Chemical structure download