Epivincamine
PubChem CID: 637570
Connections displayed (default: 10).
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| Compound Synonyms | Epivincamine, 16-Epivincamine, Prestwick_873, (+)-Vincamin, Prestwick0_000636, Prestwick1_000636, Prestwick2_000636, Prestwick3_000636, Spectrum2_001338, Spectrum3_001381, Spectrum4_000996, Spectrum5_000664, BSPBio_000632, BSPBio_002962, KBioGR_001431, MLS002153925, DivK1c_000167, SPECTRUM1500647, SPBio_001495, SPBio_002851, BPBio1_000696, SCHEMBL14095103, CHEBI:70504, HMS500I09, KBio1_000167, KBio3_002182, NINDS_000167, HMS1569P14, HMS1921O09, HMS2096P14, HMS2234I20, Pharmakon1600-01500647, CCG-38834, NSC757405, NSC-757405, SDCCGMLS-0066588.P001, IDI1_000167, SMR001233269, SBI-0051576.P002, NS00081613, AB00052139_02, BRD-K89704198-001-05-7, BRD-K89704198-001-08-1, BRD-K89704198-001-12-3, Q27138838 |
|---|---|
| Topological Polar Surface Area | 54.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 598.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Uniprot Id | Q9UIF8, Q13148, n.a., P0DTD1 |
| Iupac Name | methyl (15S,17R,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C21H26N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RXPRRQLKFXBCSJ-HLAWJBBLSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -3.212 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.464 |
| Compound Name | Epivincamine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 354.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.194 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 354.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.903793446153847 |
| Inchi | InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21-/m1/s1 |
| Smiles | CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@@](C2)(C(=O)OC)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
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