(betaR,2S,12bS)-beta-Ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-2-ethanol
PubChem CID: 5462421
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Antirhine, 16049-28-8, Anthirine, (2R)-2-[(2S,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]but-3-en-1-ol, Rhazinine, Indolo[2,3-a]quinolizine-2-ethanol, beta-ethenyl-1,2,3,4,6,7,12,12b-octahydro-, (betaR,2S,12bS)-, C09033, (betaR,2S,12bS)-beta-Ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo(2,3-a)quinolizine-2-ethanol, (betaR,2S,12bS)-beta-Ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-2-ethanol, CHEBI:2764, DTXSID40936319, AKOS032948973, (2S,betaR)-beta-Vinyl-1,2,3,4,6,7,12,12bbeta-octahydroindolo[2,3-a]quinolizine-2-ethanol, CS-0023462, Q27105810, 2-(1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)but-3-en-1-ol, (2R)-2-[(2S,12BS)-1H,2H,3H,4H,6H,7H,12H,12BH-INDOLO[2,3-A]QUINOLIZIN-2-YL]BUT-3-EN-1-OL |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 39.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1C3CCCCC3CCC21 |
| Np Classifier Class | Corynanthe type |
| Deep Smiles | OC[C@@H][C@H]CCN[C@@H]C6)c[nH]ccc5CC9)))cccc6)))))))))))))C=C |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1C2CCN2CCCCC12 |
| Classyfire Subclass | Pyridoindoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 412.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2R)-2-[(2S,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]but-3-en-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C19H24N2O |
| Scaffold Graph Node Bond Level | c1ccc2c3c([nH]c2c1)C1CCCCN1CC3 |
| Inchi Key | RYMNVEAAYOFGCI-DEYYWGMASA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | anthirine, antirhine, rhazinine |
| Esol Class | Soluble |
| Functional Groups | C=CC, CN(C)C, CO, c[nH]c |
| Compound Name | (betaR,2S,12bS)-beta-Ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-2-ethanol |
| Exact Mass | 296.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.189 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 296.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C19H24N2O/c1-2-13(12-22)14-7-9-21-10-8-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14/h2-6,13-14,18,20,22H,1,7-12H2/t13-,14-,18-/m0/s1 |
| Smiles | C=C[C@@H](CO)[C@H]1CCN2CCC3=C([C@@H]2C1)NC4=CC=CC=C34 |
| 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 Catharanthus Roseus (Plant) Rel Props:Reference:ISBN:9788172361150 - 2. Outgoing r'ship
FOUND_INto/from Rhazya Stricta (Plant) Rel Props:Reference:ISBN:9788185042053 - 3. Outgoing r'ship
FOUND_INto/from Strychnos Potatorum (Plant) Rel Props:Reference:ISBN:9788172361150