Vinburnine
PubChem CID: 71203
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| Compound Synonyms | Vinburnine, (-)-Eburnamonine, 4880-88-0, Vincamone, eburnamonine, Eburnal, Eburnamonine (-), Vinburnine [INN], Vincanorine, Vinburnina, DL-Eburnamonine, Eburnamonine (-)-form, (+/-)-Vincamone, (+/-)-Eburnamonine, Vinburnine, (+/-)-, CH-846, Eburnamonine (+/-)-form [MI], 2580-88-3, NSC-322920, Eburnamenin-14(15H)-one, (+/-)-, CHEBI:4740, G54D0HMY25, DTXSID6045119, l-Eburnamonine, 3.alpha.,16.alpha.-eburnamonine, 64UB2942IE, Cervoxan (TN), Vinburnine (INN), NSC322920, (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-one, Eburnal ritardo, cis-Vincamone, Vincamona [Spanish], DTXCID4025119, Vinburninum, Vincamona, Vinburninum [INN-Latin], Vinburnina [INN-Spanish], (-)-Eburnamonina, (41S,13aS)-13a-Ethyl-2,3,5,6,13,13a-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-12(41H)-one, (-)-Eburnamonina [Spanish], 3-alpha,16-alpha-Eburnamonine, MLS000758467, EINECS 225-490-5, CH 846, NSC 322920, 3alpha,16alpha-Eburnamonine, UNII-G54D0HMY25, UNII-64UB2942IE, (3alpha,16alpha)-Eburnamenin-14(15H)-one, (3-alpha,16-alpha)-Eburnamin-14(15H)-one, Eburnamin-14(15H)-one, (3-alpha,16-alpha)-, NCGC00014750-02, Prestwick_189, CAS-4880-88-0, Vinburnine (Standard), Spectrum_000379, Prestwick0_000607, Prestwick1_000607, Prestwick2_000607, Prestwick3_000607, Spectrum2_001504, Spectrum3_001199, Spectrum4_000751, Spectrum5_000938, VINBURNINE [MART.], NCIStruc1_000941, NCIStruc2_000870, VINBURNINE [WHO-DD], BSPBio_000514, BSPBio_002877, GTPL345, KBioGR_001102, KBioSS_000859, MLS002153906, DivK1c_000411, SCHEMBL456385, SPBio_001547, SPBio_002733, BPBio1_000566, MEGxp0_001871, CHEMBL1892145, ACon1_000004, HMS501E13, HY-B1180R, KBio1_000411, KBio2_000859, KBio2_003427, KBio2_005995, KBio3_002377, NINDS_000411, WYJAPUKIYAZSEM-MOPGFXCFSA-N, HMS1569J16, HMS2096J16, HMS2233K13, HMS3713J16, BCP02373, HY-B1180, Tox21_110060, CCG-36740, EBURNAMONINE (-)-FORM [MI], NCI322920, s5681, AKOS015896486, Tox21_110060_1, CS-4789, DB13793, FD10193, FE65898, IDI1_000411, NCGC00262533-02, NCGC00262533-03, AC-26459, BS-16859, NCI60_002800, SMR001233255, SBI-0051740.P002, NS00003481, C09149, D08676, Q2526386, BRD-K40227168-001-03-8, BRD-K40227168-001-06-1, BRD-K40227168-001-12-9, (3alpha,16alpha)-Eburnamenin-14(15H)-one, Vincamone], (31S,6aS)-6a-ethyl-31,4,5,6,6a,7-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-8(2H)-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 25.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC2CCCC3CCC4C5CCCCC5C1C4C32 |
| Np Classifier Class | Aspidosperma type |
| Deep Smiles | CC[C@@]CCCN[C@@H]6cnC=O)C%10))ccc5CC9)))cccc6 |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Eburnan-type alkaloids |
| Scaffold Graph Node Level | OC1CC2CCCN3CCC4C5CCCCC5N1C4C23 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 492.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-one |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C19H22N2O |
| Scaffold Graph Node Bond Level | O=C1CC2CCCN3CCc4c(n1c1ccccc41)C23 |
| Inchi Key | WYJAPUKIYAZSEM-MOPGFXCFSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | eburnamonine, vinburnine |
| Esol Class | Soluble |
| Functional Groups | CN(C)C, cn(c)C(C)=O |
| Compound Name | Vinburnine |
| Exact Mass | 294.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.173 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 294.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1 |
| Smiles | CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=O)C2 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Hunteria Zeylanica (Plant) Rel Props:Reference:ISBN:9788185042145 - 2. Outgoing r'ship
FOUND_INto/from Rauvolfia Serpentina (Plant) Rel Props:Reference:https://doi.org/10.1186/s12906-015-0683-7 - 3. Outgoing r'ship
FOUND_INto/from Vinca Minor (Plant) Rel Props:Reference:ISBN:9788172363093