Summary

IMPPAT Phytochemical identifier: IMPHY001178

Phytochemical name: Dtxsid40962633

Synonymous chemical names:
gibberellin a9

External chemical identifiers:
CID:443456

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Chemical structure information

SMILES:
OC(=O)[C@H]1[C@H]2[C@]3([C@H]4[C@]51CC(=C)[C@@H](C5)CC4)CCCC2(C)C(=O)O3

InChI:
InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17?,18+,19-/m1/s1

InChIKey:
MHVYWTXXZIFXDT-MMZROTCTSA-N

DeepSMILES:
OC=O)[C@H][C@H][C@][C@H][C@@]5CC=C)[C@@H]C5)CC7)))))))CCCC6C)C=O)O7

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

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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: 3.474

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Chemical structure download