Cephalofortuneine
PubChem CID: 625285
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| Compound Synonyms | Cephalofortuneine, 4,5,17-trimethoxy-11-azatetracyclo(9.7.0.01,14.02,7)octadeca-2,4,6,14-tetraene-13,16-diol, 4,5,17-trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene-13,16-diol, 68156-55-8, 8,9,12-Trimethoxy-1,5,6,11,12,13-hexahydro-2H,4H-indolo[7a,1-a][2]benzazepine-1,13-diol # |
|---|---|
| Topological Polar Surface Area | 71.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 554.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5,17-trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene-13,16-diol |
| Prediction Hob | 1.0 |
| Xlogp | 0.4 |
| Molecular Formula | C20H27NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UEGWMHGITVWRJW-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -1.768 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.538 |
| Compound Name | Cephalofortuneine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 361.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 361.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 361.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3371848307692313 |
| Inchi | InChI=1S/C20H27NO5/c1-24-17-7-12-5-4-6-21-11-16(23)14-8-15(22)19(26-3)10-20(14,21)13(12)9-18(17)25-2/h7-9,15-16,19,22-23H,4-6,10-11H2,1-3H3 |
| Smiles | COC1CC23C(=CC1O)C(CN2CCCC4=CC(=C(C=C34)OC)OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carapichea Ipecacuanha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cephalotaxus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all