CID 15560402
PubChem CID: 15560402
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| Compound Synonyms | (10S)-3,4,5,16-Tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaen-17-ol |
|---|---|
| Topological Polar Surface Area | 60.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 533.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (10S)-3,4,5,16-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaen-17-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C22H27NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SXGHNTVPXYHQSN-AWEZNQCLSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -2.836 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.845 |
| Compound Name | CID 15560402 |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 385.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 385.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 385.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.4060948571428575 |
| Inchi | InChI=1S/C22H27NO5/c1-23-9-8-13-10-15(25-2)20(24)19-17(13)14(23)7-6-12-11-16(26-3)21(27-4)22(28-5)18(12)19/h10-11,14,24H,6-9H2,1-5H3/t14-/m0/s1 |
| Smiles | CN1CCC2=CC(=C(C3=C2[C@@H]1CCC4=CC(=C(C(=C43)OC)OC)OC)O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Melanoxylon (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Pinus Palustris (Plant) Rel Props:Source_db:cmaup_ingredients