(1S,10S,11R,13S,14R,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,14-diol
PubChem CID: 163093768
Connections displayed (default: 10).
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| Topological Polar Surface Area | 43.7 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 421.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1S,10S,11R,13S,14R,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,14-diol |
| Prediction Hob | 0.0 |
| Xlogp | 1.0 |
| Molecular Formula | C16H25NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PXIJNOBGBVEBHU-KQXJLNRXSA-N |
| Fcsp3 | 0.875 |
| Logs | -2.566 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.188 |
| Compound Name | (1S,10S,11R,13S,14R,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,14-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 263.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 263.189 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 263.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0966117999999994 |
| Inchi | InChI=1S/C16H25NO2/c1-10-9-16-12-4-2-6-17(16)7-3-5-13(16)14(18)8-11(12)15(10)19/h4,10-11,13-15,18-19H,2-3,5-9H2,1H3/t10-,11+,13-,14-,15-,16-/m1/s1 |
| Smiles | C[C@@H]1C[C@@]23[C@@H]4CCCN2CCC=C3[C@@H]([C@@H]1O)C[C@H]4O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cocculus Laurifolius (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dalbergia Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Gunnera Perpensa (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Petiveria Alliacea (Plant) Rel Props:Source_db:cmaup_ingredients