Summary

IMPPAT Phytochemical identifier: IMPHY008719

Phytochemical name: Gibberellin ga45

Synonymous chemical names:
gibberellin ga45

External chemical identifiers:
CID:14160532

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Chemical structure information

SMILES:
OC(=O)C1C2C3(C4C51CC(C(=C)C5O)CC4)CCCC2(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)

InChIKey:
MBNDVMTZEKAWKP-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCCCC5CCC=C)C5O)))CC6))))))CCCC6C)C=O)O7

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

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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