Lycorenan
PubChem CID: 9548788
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| Compound Synonyms | lycorenan, CHEBI:36282, Q27116770, (5aR,11bS,11cS)-1,2,3,5,5a,7,11b,11c-octahydroisochromeno[3,4-g]indole |
|---|---|
| Topological Polar Surface Area | 21.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 338.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (5aR,11bS,11cS)-1,2,3,5,5a,7,11b,11c-octahydroisochromeno[3,4-g]indole |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C15H17NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | QPRHCMLXIWSVGT-RBSFLKMASA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -1.915 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.529 |
| Compound Name | Lycorenan |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 227.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 227.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 227.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.360979870588235 |
| Inchi | InChI=1S/C15H17NO/c1-2-4-12-11(3-1)9-17-13-6-5-10-7-8-16-15(10)14(12)13/h1-5,13-16H,6-9H2/t13-,14-,15-/m1/s1 |
| Smiles | C1CN[C@@H]2C1=CC[C@@H]3[C@H]2C4=CC=CC=C4CO3 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crinum Asiaticum (Plant) Rel Props:Source_db:cmaup_ingredients