(S)-5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinoline
PubChem CID: 16754
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| Compound Synonyms | Glaucine, 475-81-0, Boldine dimethyl ether, d-Glaucine, Bromcholitin, Glauvent, S-(+)-Glaucine, (+)-Glaucine, (S)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline, Glaucine fumarate, 1,2,9,10-Tetramethoxy-6a-alpha-aporphine, NSC34396, (6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline, CHEBI:5373, CHEMBL228082, NU19306XA7, NSC-34396, NSC 34396, (S)-5,6,6a,7-Tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo(de,g)quinoline, Glaucine, d, (S)-5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinoline, EINECS 207-501-5, UNII-NU19306XA7, 1,2,9,10-tetramethoxyaporphine, 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-, (S)-, Tusidil (TN), Glaucine (Standard), GLAUCINE [MI], GLAUCINE,(D), GLAUCINE [MART.], O,O-Dimethylisoboldine, S-(+)-Glaucine, NSC 34396, 6aalpha-Aporphine, 1,2,9,10-tetramethoxy-, GLAUCINE [WHO-DD], (S)-5,6,6a7-Tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo(de,g)quinoline, Glaucine, S-(+)-Glaucine, SCHEMBL146441, 6a-alpha-APORPHINE, 1,2,9,10-TETRAMETHOXY-, DTXSID8031100, HY-N3945R, HY-N3945, BDBM50197829, MSK159501, AKOS000276780, FG65865, MD-0233, DA-73744, Glaucined-Glaucine, Bromcholitin, Glauvent, 6a.alpha.-Aporphine,2,9,10-tetramethoxy-, (s)-(+)-1,2,9,10-tetramethoxyaporphine, CS-0024496, C09446, D08014, E87122, Q2398298, 1,2,9,10-Tetramethoxyaporphine, Boldine dimethylether, Glaucine, (6aS,11aM)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline, 4H-Dibenzo[de, 5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-, (S)-, (6AS)-5,6,6A,7-TETRAHYDRO-1,2,9,10-TETRAMETHOXY-6-METHYL-4H-DIBENZO(DE,G)QUINOLINE, (9S)-4,5,15,16-TETRAMETHOXY-10-METHYL-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(16),2,4,6,13(17),14-HEXAENE, 08V |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCC3CCCC2C31 |
| Np Classifier Class | Aporphine alkaloids, Isoquinoline alkaloids |
| Deep Smiles | COccc-ccOC))cOC))ccc6[C@H]Cc%10cc%14OC))))))NC)CC6 |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Aporphines |
| Scaffold Graph Node Level | C1CCC2C(C1)CC1NCCC3CCCC2C31 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 489.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | Q14761, P18901, P61169, P28223, P34969, P08908, P33527 |
| Iupac Name | (6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Target Id | NPT4163, NPT290, NPT1785, NPT92 |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C21H25NO4 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CC1NCCc3cccc-2c31 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RUZIUYOSRDWYQF-HNNXBMFYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.4285714285714285 |
| Logs | -3.1 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.035 |
| Synonyms | (+)-glaucine, glaucine, glaucine, d- |
| Esol Class | Moderately soluble |
| Functional Groups | CN(C)C, cOC |
| Compound Name | (S)-5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinoline |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 355.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 355.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 355.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -4.2443292615384625 |
| Inchi | InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1 |
| Smiles | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC |
| Nring | 4.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tyrosine alkaloids |
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FOUND_INto/from Potentilla Argentea (Plant) Rel Props:Reference: - 179. Outgoing r'ship
FOUND_INto/from Prunus Africana (Plant) Rel Props:Reference: - 180. Outgoing r'ship
FOUND_INto/from Prunus Armeniaca (Plant) Rel Props:Reference: - 181. Outgoing r'ship
FOUND_INto/from Prunus Avium (Plant) Rel Props:Reference: - 182. Outgoing r'ship
FOUND_INto/from Prunus Cerasoides (Plant) Rel Props:Reference: - 183. Outgoing r'ship
FOUND_INto/from Prunus Cerasus (Plant) Rel Props:Reference: - 184. Outgoing r'ship
FOUND_INto/from Prunus Ceylanica (Plant) Rel Props:Reference: - 185. Outgoing r'ship
FOUND_INto/from Prunus Cornuta (Plant) Rel Props:Reference: - 186. Outgoing r'ship
FOUND_INto/from Prunus Davidiana (Plant) Rel Props:Reference: - 187. Outgoing r'ship
FOUND_INto/from Prunus Domestica (Plant) Rel Props:Reference: - 188. Outgoing r'ship
FOUND_INto/from Prunus Dulcis (Plant) Rel Props:Reference: - 189. Outgoing r'ship
FOUND_INto/from Prunus Humilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 190. Outgoing r'ship
FOUND_INto/from Prunus Jacquemontii (Plant) Rel Props:Reference: - 191. Outgoing r'ship
FOUND_INto/from Prunus Japonica (Plant) Rel Props:Reference: - 192. Outgoing r'ship
FOUND_INto/from Prunus Laurocerasus (Plant) Rel Props:Reference: - 193. Outgoing r'ship
FOUND_INto/from Prunus Lusitanica (Plant) Rel Props:Reference: - 194. Outgoing r'ship
FOUND_INto/from Prunus Mahaleb (Plant) Rel Props:Reference: - 195. Outgoing r'ship
FOUND_INto/from Prunus Mandshurica (Plant) Rel Props:Reference: - 196. Outgoing r'ship
FOUND_INto/from Prunus Mume (Plant) Rel Props:Reference: - 197. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Reference: - 198. Outgoing r'ship
FOUND_INto/from Prunus Prostrata (Plant) Rel Props:Reference: - 199. Outgoing r'ship
FOUND_INto/from Prunus Pseudocerasus (Plant) Rel Props:Reference: - 200. Outgoing r'ship
FOUND_INto/from Prunus Puddum (Plant) Rel Props:Reference: - 201. Outgoing r'ship
FOUND_INto/from Prunus Salicina (Plant) Rel Props:Reference: - 202. Outgoing r'ship
FOUND_INto/from Prunus Serotina (Plant) Rel Props:Reference: - 203. Outgoing r'ship
FOUND_INto/from Prunus Serrulata (Plant) Rel Props:Reference: - 204. Outgoing r'ship
FOUND_INto/from Prunus Sibirica (Plant) Rel Props:Reference: - 205. Outgoing r'ship
FOUND_INto/from Prunus Speciosa (Plant) Rel Props:Reference: - 206. Outgoing r'ship
FOUND_INto/from Prunus Tomentosa (Plant) Rel Props:Reference: - 207. Outgoing r'ship
FOUND_INto/from Prunus Venosa (Plant) Rel Props:Reference: - 208. Outgoing r'ship
FOUND_INto/from Prunus Verecunda (Plant) Rel Props:Reference: - 209. Outgoing r'ship
FOUND_INto/from Prunus Virginiana (Plant) Rel Props:Reference: - 210. Outgoing r'ship
FOUND_INto/from Prunus Yedoensis (Plant) Rel Props:Reference: - 211. Outgoing r'ship
FOUND_INto/from Prunus Zippeliana (Plant) Rel Props:Reference: - 212. Outgoing r'ship
FOUND_INto/from Pycnarrhena Australiana (Plant) Rel Props:Reference: - 213. Outgoing r'ship
FOUND_INto/from Pycnarrhena Ozantha (Plant) Rel Props:Reference: - 214. Outgoing r'ship
FOUND_INto/from Pyrolirion Flavum (Plant) Rel Props:Reference: - 215. Outgoing r'ship
FOUND_INto/from Rhododendron Capitatum (Plant) Rel Props:Reference: - 216. Outgoing r'ship
FOUND_INto/from Rivina Humilis (Plant) Rel Props:Reference: - 217. Outgoing r'ship
FOUND_INto/from Rosa Laevigata (Plant) Rel Props:Reference: - 218. Outgoing r'ship
FOUND_INto/from Ruellia Prostrata (Plant) Rel Props:Reference: - 219. Outgoing r'ship
FOUND_INto/from Scorzonera Humilis (Plant) Rel Props:Reference: - 220. Outgoing r'ship
FOUND_INto/from Senna Prostrata (Plant) Rel Props:Reference: - 221. Outgoing r'ship
FOUND_INto/from Sorbus Domestica (Plant) Rel Props:Reference: - 222. Outgoing r'ship
FOUND_INto/from Swertia Decora (Plant) Rel Props:Reference: - 223. Outgoing r'ship
FOUND_INto/from Thalictrum Flavum (Plant) Rel Props:Reference: - 224. Outgoing r'ship
FOUND_INto/from Thalictrum Foetidum (Plant) Rel Props:Reference:ISBN:9788172363093 - 225. Outgoing r'ship
FOUND_INto/from Thalictrum Minus (Plant) Rel Props:Reference:ISBN:9788172363093; ISBN:9788185042114 - 226. Outgoing r'ship
FOUND_INto/from Tournefortia Argentea (Plant) Rel Props:Reference: - 227. Outgoing r'ship
FOUND_INto/from Uncaria Laevigata (Plant) Rel Props:Reference: - 228. Outgoing r'ship
FOUND_INto/from Wedelia Prostrata (Plant) Rel Props:Reference: - 229. Outgoing r'ship
FOUND_INto/from Werneria Decora (Plant) Rel Props:Reference: - 230. Outgoing r'ship
FOUND_INto/from Xylopia Aethiopica (Plant) Rel Props:Reference: - 231. Outgoing r'ship
FOUND_INto/from Xylopia Aromatica (Plant) Rel Props:Reference: - 232. Outgoing r'ship
FOUND_INto/from Xylopia Brasiliensis (Plant) Rel Props:Reference: - 233. Outgoing r'ship
FOUND_INto/from Xylopia Columbiana (Plant) Rel Props:Reference: - 234. Outgoing r'ship
FOUND_INto/from Xylopia Discreta (Plant) Rel Props:Reference: - 235. Outgoing r'ship
FOUND_INto/from Xylopia Emarginata (Plant) Rel Props:Reference: - 236. Outgoing r'ship
FOUND_INto/from Xylopia Parviflora (Plant) Rel Props:Reference: - 237. Outgoing r'ship
FOUND_INto/from Xylopia Parvifolia (Plant) Rel Props:Reference: - 238. Outgoing r'ship
FOUND_INto/from Zanthoxylum Flavum (Plant) Rel Props:Reference: - 239. Outgoing r'ship
FOUND_INto/from Zingiber Capitatum (Plant) Rel Props:Reference: