(-)-Tylocrebrine
PubChem CID: 442875
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (-)-Tylocrebrine, Tylocrebrine, (-)-, Tylocrebrine L-form [MI], 61302-92-9, UNII-YZ2Y4V1041, YZ2Y4V1041, Dibenzo(f,H)pyrrolo(1,2-b)isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,5,6-tetramethoxy-, (13aS)-, Dibenzo(f,H)pyrrolo(1,2-b)isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,5,6-tetramethoxy-, (S)-, CHEBI:120, DTXSID40331986, CCG-36129, (13aS)-2,3,5,6-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine, Q27105249 |
|---|---|
| Topological Polar Surface Area | 40.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 573.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (13aS)-2,3,5,6-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C24H27NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YFEPHJVWLFGWKH-AWEZNQCLSA-N |
| Fcsp3 | 0.4166666666666667 |
| Logs | -4.636 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.45 |
| Compound Name | (-)-Tylocrebrine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 393.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 393.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 393.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.358985579310345 |
| Inchi | InChI=1S/C24H27NO4/c1-26-20-8-7-15-19-13-25-9-5-6-14(25)10-16(19)17-11-21(27-2)22(28-3)12-18(17)23(15)24(20)29-4/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3/t14-/m0/s1 |
| Smiles | COC1=C(C2=C(C=C1)C3=C(C[C@@H]4CCCN4C3)C5=CC(=C(C=C52)OC)OC)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Coriaria Sinica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Tylophora Crebriflora (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Tylophora Floribunda (Plant) Rel Props:Source_db:cmaup_ingredients