Ethyl Beta-Carboline-3-Carboxylate
PubChem CID: 105078
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| Compound Synonyms | 74214-62-3, Ethyl beta-carboline-3-carboxylate, Ethyl 9H-pyrido[3,4-b]indole-3-carboxylate, beta-CCE, beta-Carboline-3-carboxylic acid ethyl ester, Ethyl 9H-pyrido(3,4-b)indole-3-carboxylate, ethyl norharmancarboxylate, 3-carboethoxy-beta carboline, HYW8K5N21Y, 9H-Pyrido(3,4-b)indole-3-carboxylic acid, ethyl ester, Beta CCE, Ro 15-2538, 9H-Pyrido[3,4-b]indole-3-carboxylicacid, ethyl ester, Ethyl-beta-carboline-3-carboxylate, MFCD00009730, .BETA.-CCE, NSC-610937, CHEMBL11709, MLS000069492, CHEMBL454606, .beta.-Carboline-3-carboxylic acid ethyl ester, DTXSID70225208, Ethyl, A-carboline-3-carboxylate, 9H-beta-Carboline-3-carboxylic acid ethyl ester, pyrido(3,4-b)indole-3-carboxylic acid ethyl ester, Ethyl 9H-beta-carboline-3-carboxylate, 9H-Pyrido[3,4-b]indole-3-carboxylic acid, ethyl ester, SMR000059107, ETHYL .BETA.-CARBOLINE-3-CARBOXYLATE, 3-CARBOETHOXY-9H-PYRIDO(3,4-B)INDOLE, Ethyl Beta-Carboline-3-carboxylate (Beta-CCE), NORHARMAN-3-CARBOXYLIC ACID ETHYL ESTER, ETHYL 9H-.BETA.-CARBOLINE-3-CARBOXYLATE, ETHYL .BETA.-CARBOLINE-3-CARBOXYLATE [MI], 9H-PYRIDO(3,4-B)INDOLE-3-CARBOXYLIC ACID ETHYL ESTER, BC-3-CAEE, UNII-HYW8K5N21Y, Maybridge3_003354, Opera_ID_1435, Biomol-NT_000276, 3-carboethoxy-beta-carboline, Oprea1_109443, MLS001077351, SCHEMBL601711, BPBio1_001145, cid_105078, ethyl-b-carboline-3-carboxylate, CHEBI:92850, KOVRZNUMIKACTB-UHFFFAOYSA-, DTXCID30147699, ethyl beta-carbolin-3-carboxylate, HMS1440I10, HMS2231F03, HMS3370N07, BDBM50001486, BDBM50244035, CCG-42494, ethyl 9hbeta-carboline-3-carboxylate, NSC610937, PDSP1_001750, PDSP1_001760, PDSP2_001733, PDSP2_001743, Ethyl-.beta.-carboline-3-carboxylate, AKOS015898310, IDI1_014741, NCGC00018132-01, NCGC00018132-02, NCGC00018132-03, NCGC00018132-04, NCGC00018132-05, NCGC00163291-01, NCGC00163291-02, AS-87922, Ethyl 9H-beta-carboline-3-carboxylate #, Ethyl beta-carboline-3-carboxylate, 97%, 3-ethoxycarbonyl-9H-pyrido[3,4-b]indole, beta-carbolin-3-carboxylic acid ethyl ester, DB-055850, Ethyl9H-pyrido[3,4-b]indole-3-carboxylate, HY-137494, CS-0139317, Ethyl, A-carboline-3-carboxylate (, A-CCE), ethyl 9H-pyrido[5,4-b]indole-3-carboxylate, Ethyl beta -carboline-3-carboxylate ( beta -CCE), SR-01000632490-1, BRD-K49061529-001-01-0, Q27164603, 9H-beta-Carboline-3-carboxylic acid ethyl ester (BCCE), 9H-beta-Carboline-3-carboxylic acid ethyl ester(BCCE), (betaCCE)9H-beta-Carboline-3-carboxylic acid ethyl ester, 9H-beta-Carboline-3-carboxylic acid ethyl ester(beta-CCE), 124475-91-8, 624-676-7, InChI=1/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3 |
|---|---|
| Topological Polar Surface Area | 55.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 321.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., O76074 |
| Iupac Name | ethyl 9H-pyrido[3,4-b]indole-3-carboxylate |
| Prediction Hob | 1.0 |
| Target Id | NPT273 |
| Xlogp | 2.9 |
| Molecular Formula | C14H12N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KOVRZNUMIKACTB-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -3.615 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.904 |
| Compound Name | Ethyl Beta-Carboline-3-Carboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.09 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 240.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4741688444444447 |
| Inchi | InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3 |
| Smiles | CCOC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Picrasma Quassioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all