Lamuran
PubChem CID: 251561
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| Compound Synonyms | Raubasin, Lamuran, methyl 19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate, Ranitol, Raubaserp, Raubasil, Raumalina, Rauvasan, Vincain, Vincein, Vinceine, Tensyl, MLS000111555, Alkaloid F, Substance II, Alkaloid II, NSC72115, NSC72133, SMR000107477, Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19.alpha.)-, methyl 16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate, Lamuran (TN), WLN: T F6 D5 C666 EM ON SO TU&&TTTJ R1 UVO1, 16,17-Didehydro-19beta-methyl-18-oxayohimban-16-carboxylic acid methyl ester, Oxayohimban-16-carboxylic acid,17-didehydro-19-methyl-, methyl ester, (19.alpha.)-, methyl 16-methyl-17-oxa-3,13-diazapentacyclo(11.8.0.02,10.04,9.015,20)henicosa-2(10),4,6,8,18-pentaene-19-carboxylate, (-)-Ajmalicin, Alstonine, 3,4,5,6-tetrahydro-, (3.alpha.)-, MLS002540766, SCHEMBL309915, (+)-19-Epiajmalicine, (+)-19-epi-Ajmalicine, 19-epi-Ajmalicine, Alstonine,4,5,6-tetrahydro-, cid_251561, CHEMBL1604074, BDBM30993, DTXSID10863385, GRTOGORTSDXSFK-UHFFFAOYSA-N, HMS1607K01, HMS2271A14, AAA64217, ABA53245, NSC95087, NSC-95087, STK367072, AKOS000730693, AKOS021983176, CCG-103005, NCI60_041492, NCI60_041515, DB-051540, Alstonine,4,5,6-tetrahydro-, (3.alpha.)-, VU0002262-1, AE-508/21131017, L001109, SR-01000625463, SR-01000625463-4, B0005-188438, B2703-458081, Methyl 19-methyl-16,17-didehydrooxayohimban-16-carboxylate #, 16,17-Didehydro-19.alpha.-methyloxayohimban-16-carboxylic acid methyl ester, METHYL 4-METHYL-4A,5,7,8,13,13B,14,14A-OCTAHYDRO-4H-PYRANO[4',3':4,5]PYRIDO[2,1-A]BETA-CARBOLINE-1-CARBOXYLATE, Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19-alpha)- (9CI), Oxayohimban-16-carboxylic acid,17-didehydro-19-methyl-, methyl ester, (19.alpha.,20.alpha.)- |
|---|---|
| Topological Polar Surface Area | 54.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 606.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate |
| Prediction Hob | 1.0 |
| Class | Yohimbine alkaloids |
| Target Id | NPT149, NPT1197, NPT1226, NPT277 |
| Xlogp | 2.7 |
| Superclass | Alkaloids and derivatives |
| Molecular Formula | C21H24N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GRTOGORTSDXSFK-UHFFFAOYSA-N |
| Fcsp3 | 0.4761904761904761 |
| Logs | -3.287 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.147 |
| Synonyms | Methyl 16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.0,.0,.0,]henicosa-2(10),4,6,8,18-pentaene-19-carboxylic acid, 19-Epiajmalicine, Lamuran, Ajmalicine, (3-beta,19beta)-isomer, Ajmalicine, (3beta,19alpha)-isomer, Ajmalicine, (hydrochloride(19beta,20alpha))-isomer, Ajmalicine, PO4(19alpha)-isomer, Akuammigine, Raubasine HCL, Raubasine hydrochloride, Ajmalicine, (19alpha,20alpha)-isomer, Ajmalicine, hydrochloride(19alpha)-isomer, delta-Yohimbine, Tetrahydro-alstonine, Ajmalicine hydrochloride, Ajmalicine, (3beta,19alpha,20alpha)-isomer, Ajmalicine, Ajmalicine, (19beta)-isomer, Ajmalicine, (19beta,20alpha)-isomer, Raubasine, Rauvasan, Tetrahydroalstonine, Methyl 16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,18-pentaene-19-carboxylic acid |
| Compound Name | Lamuran |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 352.179 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.179 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 352.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -3.881744646153846 |
| Inchi | InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3 |
| Smiles | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Yohimbine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Atropa Belladonna (Plant) Rel Props:Source_db:cmaup_ingredients