17-Oxosparteine
PubChem CID: 218066
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| Compound Synonyms | 17-Oxosparteine, Oxosparteine, L-Oxysparteine, Oxysparteine, 489-72-5, l-17-Oxosparteine, SPARTEINE, 17-OXO-, UNII-GN8EP0695Y, GN8EP0695Y, (-)-17-Oxosparteine, EINECS 207-699-3, NSC 127496, 17-OXOSPARTEINE, (-)-, NSC-127496, (1S,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one, Aphylline, 7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocin-6-one, dodecahydro-, (7R-(7alpha,7aalpha,14alpha,14abeta))-, (7R,7aR,14S,14aS)-dodecahydro-2H,6H-7,14-methanodipyrido[1,2-a:1',2'-e][1,5]diazocin-6-one, 7,14-METHANO-2H,6H-DIPYRIDO(1,2-A:1',2'-E)(1,5)DIAZOCIN-6-ONE, DODECAHYDRO-, (7R,7AR,14S,14AS)-, SCHEMBL11465157, YQMWQSMYVPLYDI-RFQIPJPRSA-N, DTXSID701032340, 7,14-METHANO-2H,6H-DIPYRIDO(1,2-A:1',2'-E)(1,5)DIAZOCIN-6-ONE, DODECAHYDRO-, (7R-(7.ALPHA.,7A.ALPHA.,14.ALPHA.,14A.BETA.))-, AKOS040749894, 207-699-3 |
|---|---|
| Topological Polar Surface Area | 23.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 356.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C15H24N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YQMWQSMYVPLYDI-RFQIPJPRSA-N |
| Fcsp3 | 0.9333333333333332 |
| Logs | -1.665 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.059 |
| Compound Name | 17-Oxosparteine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 248.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.189 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 248.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4571939999999994 |
| Inchi | InChI=1S/C15H24N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h11-14H,1-10H2/t11-,12+,13-,14+/m0/s1 |
| Smiles | C1CCN2C[C@@H]3C[C@H]([C@H]2C1)C(=O)N4[C@H]3CCCC4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anabasis Aphylla (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Magnolia Coco (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ocimum Basilicum (Plant) Rel Props:Source_db:cmaup_ingredients