Gibberellin A19

PubChem CID: 5460209

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Compound Synonyms	Gibberellin A19, Gibberellin 19, 6980-44-5, Gibberellin A(19), GA19, Bamboo gibberellin, Gibberellin GA19, GA19 cpd, (1S,2S,3S,4R,8R,9R,12S)-8-formyl-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid, CHEBI:28731, (1S,2S,3S,4R,8R,9R,12S)-8-formyl-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4-dicarboxylic acid, 4a-formyl-7alpha-hydroxy-1-methyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylic acid, (1S,2S,3S,4R,8R,9R,12S)-8-formyl-12-hydroxy-4-methyl-13-methylidenetetracyclo(10.2.1.0(1,9).0(3,8))pentadecane-2,4-dicarboxylic acid, (1S,2S,3S,4R,8R,9R,12S)-8-formyl-12-hydroxy-4-methyl-13-methylidenetetracyclo(10.2.1.01,9.03,8)pentadecane-2,4-dicarboxylic acid, SCHEMBL11413048, DTXSID50990063, LMPR0104170039, Q27103870, Gibbane-1,10-dicarboxylic acid, 4a-formyl-7-hydroxy-1-methyl-8-methylene-, (1.alpha.,4a.alpha.,4b.beta.,10.beats.)-
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	112.0
Hydrogen Bond Donor Count	3.0
Pfizer 3 75 Rule	True
Scaffold Graph Level	CC1CC23CC1CCC2C1CCCCC1C3
Np Classifier Class	Gibberellins
Deep Smiles	O=C[C@@]CCC[C@@][C@H]6[C@@H][C@][C@H]9CC[C@]C6)C=C)C7))O))))))C=O)O))))C)C=O)O
Heavy Atom Count	26.0
Classyfire Class	Prenol lipids
Description	Constituent of moso bamboo shoots (Phyllostachys edulis). Gibberellin A19 is found in many foods, some of which are swede, devilfish, vanilla, and canola.
Scaffold Graph Node Level	CC1CC23CC1CCC2C1CCCCC1C3
Classyfire Subclass	Diterpenoids
Isotope Atom Count	0.0
Molecular Complexity	730.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	7.0
Iupac Name	(1S,2S,3S,4R,8R,9R,12S)-8-formyl-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
Prediction Hob	1.0
Class	Prenol lipids
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	0.7
Superclass	Lipids and lipid-like molecules
Subclass	Diterpenoids
Gsk 4 400 Rule	True
Molecular Formula	C20H26O6
Scaffold Graph Node Bond Level	C=C1CC23CC1CCC2C1CCCCC1C3
Prediction Swissadme	1.0
Inchi Key	VNCQCPQAMDQEBY-YTJHIPEWSA-N
Silicos It Class	Soluble
Fcsp3	0.75
Logs	-2.467
Rotatable Bond Count	3.0
State	Solid
Logd	0.3
Synonyms	Bamboo gibberellin, GA19, GA19 cpd, Gibberellin 19, Gibberellin A(19), Gibberellin GA19, GA19 CPD, Gibberellin a(19), (1alpha,4aalpha,4bbeta,10beta)-4a-Formyl-7-hydroxy-1-methyl-8-methylenegibbane-1,10-dicarboxylic acid, (1α,4aα,4bβ,10β)-4a-Formyl-7-hydroxy-1-methyl-8-methylenegibbane-1,10-dicarboxylic acid, Gibberellin A19, gibberellin a(ga19), gibberellin a19, gibberellin ga 19, gibberellin ga19
Esol Class	Soluble
Functional Groups	C=C(C)C, CC(=O)O, CC=O, CO
Compound Name	Gibberellin A19
Kingdom	Organic compounds
Prediction Hob Swissadme	1.0
Exact Mass	362.173
Formal Charge	0.0
Monoisotopic Mass	362.173
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	362.4
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	7.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aliphatic homopolycyclic compounds
Lipinski Rule Of 5	True
Esol	-3.9429172000000006
Inchi	InChI=1S/C20H26O6/c1-11-8-19-9-20(11,26)7-4-12(19)18(10-21)6-3-5-17(2,16(24)25)14(18)13(19)15(22)23/h10,12-14,26H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14+,17+,18+,19-,20-/m0/s1
Smiles	C[C@]1(CCC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C(=O)O)C=O)C(=O)O
Nring	4.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	C20-gibberellin 6-carboxylic acids
Np Classifier Superclass	Diterpenoids

1. Outgoing r'ship FOUND_IN to/from Brassica Napus (Plant) Rel Props:Source_db:fooddb_chem_all
2. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all
3. Outgoing r'ship FOUND_IN to/from Carthamus Tinctorius (Plant) Rel Props:Source_db:fooddb_chem_all
4. Outgoing r'ship FOUND_IN to/from Citrus Reticulata (Plant) Rel Props:Source_db:fooddb_chem_all
5. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all
6. Outgoing r'ship FOUND_IN to/from Cucurbita Maxima (Plant) Rel Props:Source_db:fooddb_chem_all
7. Outgoing r'ship FOUND_IN to/from Dioscorea Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
8. Outgoing r'ship FOUND_IN to/from Dioscorea Opposita (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
9. Outgoing r'ship FOUND_IN to/from Dioscorea Polystachya (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
10. Outgoing r'ship FOUND_IN to/from Eriobotrya Japonica (Plant) Rel Props:Source_db:fooddb_chem_all
11. Outgoing r'ship FOUND_IN to/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all
12. Outgoing r'ship FOUND_IN to/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all
13. Outgoing r'ship FOUND_IN to/from Hordeum Vulgare (Plant) Rel Props:Source_db:fooddb_chem_all
14. Outgoing r'ship FOUND_IN to/from Ipomoea Alba (Plant) Rel Props:Reference:ISBN:9788185042084
15. Outgoing r'ship FOUND_IN to/from Ipomoea Batatas (Plant) Rel Props:Source_db:fooddb_chem_all
16. Outgoing r'ship FOUND_IN to/from Ipomoea Nil (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
17. Outgoing r'ship FOUND_IN to/from Ipomoea Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
18. Outgoing r'ship FOUND_IN to/from Ipomoea Reptans (Plant) Rel Props:Source_db:fooddb_chem_all
19. Outgoing r'ship FOUND_IN to/from Juglans Regia (Plant) Rel Props:Source_db:fooddb_chem_all
20. Outgoing r'ship FOUND_IN to/from Lactuca Sativa (Plant) Rel Props:Source_db:fooddb_chem_all
21. Outgoing r'ship FOUND_IN to/from Malus Domestica (Plant) Rel Props:Source_db:fooddb_chem_all
22. Outgoing r'ship FOUND_IN to/from Mangifera Indica (Plant) Rel Props:Source_db:fooddb_chem_all
23. Outgoing r'ship FOUND_IN to/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all
24. Outgoing r'ship FOUND_IN to/from Phaseolus Lunatus (Plant) Rel Props:Source_db:fooddb_chem_all
25. Outgoing r'ship FOUND_IN to/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all
26. Outgoing r'ship FOUND_IN to/from Phyllostachys Edulis (Plant) Rel Props:Source_db:fooddb_chem_all
27. Outgoing r'ship FOUND_IN to/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all
28. Outgoing r'ship FOUND_IN to/from Prunus Avium (Plant) Rel Props:Source_db:fooddb_chem_all
29. Outgoing r'ship FOUND_IN to/from Prunus Cerasus (Plant) Rel Props:Source_db:fooddb_chem_all
30. Outgoing r'ship FOUND_IN to/from Prunus Persica (Plant) Rel Props:Source_db:fooddb_chem_all
31. Outgoing r'ship FOUND_IN to/from Raphanus Raphanistrum (Plant) Rel Props:Reference:ISBN:9788185042145
32. Outgoing r'ship FOUND_IN to/from Raphanus Sativus (Plant) Rel Props:Source_db:fooddb_chem_all
33. Outgoing r'ship FOUND_IN to/from Rumex Acetosa (Plant) Rel Props:Source_db:fooddb_chem_all
34. Outgoing r'ship FOUND_IN to/from Sechium Edule (Plant) Rel Props:Source_db:fooddb_chem_all
35. Outgoing r'ship FOUND_IN to/from Sorghum Bicolor (Plant) Rel Props:Source_db:fooddb_chem_all
36. Outgoing r'ship FOUND_IN to/from Spinacia Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all
37. Outgoing r'ship FOUND_IN to/from Triticum Aestivum (Plant) Rel Props:Source_db:fooddb_chem_all
38. Outgoing r'ship FOUND_IN to/from Vicia Faba (Plant) Rel Props:Source_db:fooddb_chem_all
39. Outgoing r'ship FOUND_IN to/from Vigna Unguiculata (Plant) Rel Props:Source_db:fooddb_chem_all
40. Outgoing r'ship FOUND_IN to/from Vitis Vinifera (Plant) Rel Props:Source_db:fooddb_chem_all
41. Outgoing r'ship FOUND_IN to/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all

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Gibberellin A19

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Phytochemical Properties

Associated Connections 41

Plant Connections 41