Isorhynchophylline

PubChem CID: 3037048

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Compound Synonyms	Isorhynchophylline, 6859-01-4, Isorhyncophylline, 7-Isorhyncophylline, 7F4P99KHLJ, Isorhychophylline, CHEBI:70071, UNII-7F4P99KHLJ, methyl (E)-2-[(3S,6'R,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate, (16E,20-alpha)-16,17-Didehydro-17-methoxy-2-oxo-corynoxan-16-carboxylic acid, Corynoxan-16-carboxylic acid, 16,17-didehydro-17-methoxy-2-oxo-, methyl ester, (16E,20-alpha)-, C22H28N2O4, 39032-62-7, Rel-methyl (E)-2-((3S,6'R,7'S,8a'S)-6'-ethyl-2-oxo-2',3',6',7',8',8a'-hexahydro-5'H-spiro[indoline-3,1'-indolizin]-7'-yl)-3-methoxyacrylate, Isorhynchophylline (Standard), MLS000728608, CHEMBL480521, SCHEMBL23259272, HY-N0766R, HMS2267O23, HMS3886F22, HY-N0766, BDBM50531282, s9310, AKOS025402306, AC-7996, CCG-268459, CS-3805, AS-75287, DA-54453, SMR000470794, 1ST159053, C16980, ISORHYNCHOPHYLLINE (CONSTITUENT OF CAT'S CLAW), Q27138409, ISORHYNCHOPHYLLINE (CONSTITUENT OF CAT'S CLAW) [DSC], (16E\,20-alpha)-16\,17-Didehydro-17-methoxy-2-oxo-corynoxan-16-carboxylic acid, CORYNOXAN-16-CARBOXYLIC ACID, 16,17-DIDEHYDRO-17-METHOXY-2-OXO-, METHYL ESTER, (16E,20.ALPHA.)-, CORYNOXAN-16-CARBOXYLIC ACID, 16,17-DIDEHYDRO-17-METHOXY-2-OXO-, METHYL ESTER, (16E,20alpha)-, methyl (2E)-2-[(3S,6'R,7'S,8'aS)-6'-ethyl-2-oxo-1,2,3',5',6',7',8',8'a-octahydro-2'H-spiro[indole-3,1'-indolizin]-7'-yl]-3-methoxyprop-2-enoate, SPIRO(3H-INDOLE-3,1'(5'H)-INDOLIZINE)-7'-ACETIC ACID, 6'-ETHYL-1,2,2',3',6',7',8',8'A-OCTAHYDRO-.ALPHA.-(METHOXYMETHYLENE)-2-OXO-, METHYL ESTER, (.ALPHA.E,1'S,6'R,7'S,8'AS)-, SPIRO(3H-INDOLE-3,1'(5'H)-INDOLIZINE)-7'-ACETIC ACID, 6'-ETHYL-1,2,2',3',6',7',8',8'A-OCTAHYDRO-alpha-(METHOXYMETHYLENE)-2-OXO-, METHYL ESTER, (alphaE,1'S,6'R,7'S,8'AS)-
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	67.9
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CC2CCCCC2C12CCC1CCCCC12
Np Classifier Class	Corynanthe type, Simple oxindole alkaloids
Deep Smiles	CO/C=C[C@H]C[C@@H]NC[C@@H]6CC))))CC[C@@]5C=O)Ncc5cccc6)))))))))))))))/C=O)OC
Heavy Atom Count	28.0
Classyfire Class	Indolizidines
Scaffold Graph Node Level	OC1NC2CCCCC2C12CCN1CCCCC12
Isotope Atom Count	0.0
Molecular Complexity	663.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Uniprot Id	P08908
Iupac Name	methyl (E)-2-[(3S,6'R,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Target Id	NPT92
Xlogp	2.3
Gsk 4 400 Rule	True
Molecular Formula	C22H28N2O4
Scaffold Graph Node Bond Level	O=C1Nc2ccccc2C12CCN1CCCCC12
Prediction Swissadme	1.0
Inchi Key	DAXYUDFNWXHGBE-VKCGGMIFSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.5454545454545454
Logs	-3.918
Rotatable Bond Count	5.0
Logd	2.939
Synonyms	isorhynchophylline
Esol Class	Soluble
Functional Groups	CN(C)C, CO/C=C(C)C(=O)OC, cNC(C)=O
Compound Name	Isorhynchophylline
Prediction Hob Swissadme	1.0
Exact Mass	384.205
Formal Charge	0.0
Monoisotopic Mass	384.205
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	384.5
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	1.0
Lipinski Rule Of 5	True
Esol	-3.709222628571429
Inchi	InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22-/m0/s1
Smiles	CC[C@H]1CN2CC[C@@]3([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)C4=CC=CC=C4NC3=O
Nring	4.0
Np Classifier Biosynthetic Pathway	Alkaloids
Defined Bond Stereocenter Count	1.0
Egan Rule	True
Np Classifier Superclass	Tryptophan alkaloids

1. Outgoing r'ship FOUND_IN to/from Acacia Catechu (Plant) Rel Props:Reference:
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60. Outgoing r'ship FOUND_IN to/from Diphylleia Sinensis (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Dolichopentas Longiflora (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Dolichos Sinensis (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Drymaria Cordata (Plant) Rel Props:Reference:
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70. Outgoing r'ship FOUND_IN to/from Flemingia Macrophylla (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Fleroya Stipulosa (Plant) Rel Props:Reference:ISBN:9770972795006
72. Outgoing r'ship FOUND_IN to/from Galenia Africana (Plant) Rel Props:Reference:
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77. Outgoing r'ship FOUND_IN to/from Gastrochilus Longiflora (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Gentiana Macrophylla (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Gleditsia Sinensis (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Glycosmis Macrophylla (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Goniothalamus Borneensis (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Goupia Tomentosa (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Gynura Elliptica (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Halenia Elliptica (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Hernandia Guianensis (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Hippobroma Longiflora (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Houttuynia Cordata (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Hubertia Tomentosa (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Hydrangea Macrophylla (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Hyptis Tomentosa (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Incarvillea Sinensis (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Isotoma Longiflora (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Juglans Sinensis (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Kigelia Africana (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Kiggelaria Africana (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Knema Attenuata (Plant) Rel Props:Reference:
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190. Outgoing r'ship FOUND_IN to/from Uncaria Borneensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
191. Outgoing r'ship FOUND_IN to/from Uncaria Callophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
192. Outgoing r'ship FOUND_IN to/from Uncaria Canescens (Plant) Rel Props:Reference:
193. Outgoing r'ship FOUND_IN to/from Uncaria Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
194. Outgoing r'ship FOUND_IN to/from Uncaria Donisii (Plant) Rel Props:Reference:
195. Outgoing r'ship FOUND_IN to/from Uncaria Elliptica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
196. Outgoing r'ship FOUND_IN to/from Uncaria Gambier (Plant) Rel Props:Reference:
197. Outgoing r'ship FOUND_IN to/from Uncaria Gambir (Plant) Rel Props:Reference:
198. Outgoing r'ship FOUND_IN to/from Uncaria Guianensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
199. Outgoing r'ship FOUND_IN to/from Uncaria Hirsuta (Plant) Rel Props:Reference:
200. Outgoing r'ship FOUND_IN to/from Uncaria Homomalla (Plant) Rel Props:Reference:
201. Outgoing r'ship FOUND_IN to/from Uncaria Kawakamii (Plant) Rel Props:Reference:
202. Outgoing r'ship FOUND_IN to/from Uncaria Laevigata (Plant) Rel Props:Reference:
203. Outgoing r'ship FOUND_IN to/from Uncaria Lancifolia (Plant) Rel Props:Reference:
204. Outgoing r'ship FOUND_IN to/from Uncaria Lanosa (Plant) Rel Props:Reference:
205. Outgoing r'ship FOUND_IN to/from Uncaria Longiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
206. Outgoing r'ship FOUND_IN to/from Uncaria Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
207. Outgoing r'ship FOUND_IN to/from Uncaria Nervosa (Plant) Rel Props:Reference:
208. Outgoing r'ship FOUND_IN to/from Uncaria Orientalis (Plant) Rel Props:Reference:
209. Outgoing r'ship FOUND_IN to/from Uncaria Perrottetii (Plant) Rel Props:Reference:
210. Outgoing r'ship FOUND_IN to/from Uncaria Quadrangularis (Plant) Rel Props:Reference:
211. Outgoing r'ship FOUND_IN to/from Uncaria Rhynchophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
212. Outgoing r'ship FOUND_IN to/from Uncaria Scandens (Plant) Rel Props:Reference:
213. Outgoing r'ship FOUND_IN to/from Uncaria Sessilifructus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
214. Outgoing r'ship FOUND_IN to/from Uncaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
215. Outgoing r'ship FOUND_IN to/from Uncaria Sterrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
216. Outgoing r'ship FOUND_IN to/from Uncaria Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
217. Outgoing r'ship FOUND_IN to/from Uncaria Veluntina (Plant) Rel Props:Reference:
218. Outgoing r'ship FOUND_IN to/from Upuna Borneensis (Plant) Rel Props:Reference:
219. Outgoing r'ship FOUND_IN to/from Uvaria Macrophylla (Plant) Rel Props:Reference:
220. Outgoing r'ship FOUND_IN to/from Vitis Tomentosa (Plant) Rel Props:Reference:
221. Outgoing r'ship FOUND_IN to/from Wisteria Sinensis (Plant) Rel Props:Reference:
222. Outgoing r'ship FOUND_IN to/from Wrightia Tomentosa (Plant) Rel Props:Reference:
223. Outgoing r'ship FOUND_IN to/from Xantolis Tomentosa (Plant) Rel Props:Reference:

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Isorhynchophylline

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Phytochemical Properties

Associated Connections 223

Plant Connections 223