Clivonine
PubChem CID: 12303690
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| Compound Synonyms | Clivonine, 477-16-7, (2S,3R,7R,9S,10R)-9-hydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),13,15(19)-trien-12-one, Lycorenan-7-one, 4,12-dihydro-5-hydroxy-1-methyl-9,10-(methylenebis(oxy))-, (5alpha,12beta,13beta)-, (2S,3R,7R,9S,10R)-9-hydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo(11.7.0.02,10.03,7.015,19)icosa-1(20),13,15(19)-trien-12-one, CHEMBL520210 |
|---|---|
| Topological Polar Surface Area | 68.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 513.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2S,3R,7R,9S,10R)-9-hydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),13,15(19)-trien-12-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Is Pains | False |
| Molecular Formula | C17H19NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ATGABXDKTMWXAQ-GIFBOUKESA-N |
| Fcsp3 | 0.5882352941176471 |
| Rotatable Bond Count | 0.0 |
| Compound Name | Clivonine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 317.126 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 317.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 317.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9392576782608697 |
| Inchi | InChI=1S/C17H19NO5/c1-18-3-2-8-4-11(19)16-14(15(8)18)9-5-12-13(22-7-21-12)6-10(9)17(20)23-16/h5-6,8,11,14-16,19H,2-4,7H2,1H3/t8-,11+,14+,15-,16+/m1/s1 |
| Smiles | CN1CC[C@H]2[C@@H]1[C@H]3[C@H]([C@H](C2)O)OC(=O)C4=CC5=C(C=C34)OCO5 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients