Stephabyssine
PubChem CID: 615804
Connections displayed (default: 10).
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| Compound Synonyms | Stephabyssine, ISILEFQFEYPRJE-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 598.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,11-dihydroxy-4-methoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-trien-12-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.4 |
| Molecular Formula | C18H21NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ISILEFQFEYPRJE-UHFFFAOYSA-N |
| Fcsp3 | 0.6111111111111112 |
| Logs | -3.147 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.671 |
| Compound Name | Stephabyssine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 331.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 331.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 331.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2780816000000006 |
| Inchi | InChI=1S/C18H21NO5/c1-19-8-7-16-6-5-13(20)18(22)17(16,19)9-12(24-18)10-3-4-11(23-2)15(21)14(10)16/h3-4,12,21-22H,5-9H2,1-2H3 |
| Smiles | CN1CCC23C14CC(C5=C2C(=C(C=C5)OC)O)OC4(C(=O)CC3)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stephania Longa (Plant) Rel Props:Source_db:cmaup_ingredients