Distichamine
PubChem CID: 71461758
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Distichamine, (1S,13R)-9,15-dimethoxy-5,7-dioxa-12-azapentacyclo(10.5.2.01,13.02,10.04,8)nonadeca-2,4(8),9,15-tetraen-17-one, (1S,13R)-9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,15-tetraen-17-one, CHEMBL2146602 |
|---|---|
| Topological Polar Surface Area | 57.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 592.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,13R)-9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,15-tetraen-17-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C18H19NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FNYADSSSNOZMIA-KDOFPFPSSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.305 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.896 |
| Compound Name | Distichamine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 329.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 329.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 329.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7791824000000007 |
| Inchi | InChI=1S/C18H19NO5/c1-21-10-5-14-18(15(20)6-10)3-4-19(14)8-11-12(18)7-13-17(16(11)22-2)24-9-23-13/h6-7,14H,3-5,8-9H2,1-2H3/t14-,18+/m1/s1 |
| Smiles | COC1=CC(=O)[C@]23CCN([C@@H]2C1)CC4=C(C5=C(C=C34)OCO5)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Amaryllidaceae (Plant) Rel Props:Source_db:cmaup_ingredients