Apohaemanthamine
PubChem CID: 70693230
Connections displayed (default: 10).
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| Compound Synonyms | Apohaemanthamine, CHEMBL2087253 |
|---|---|
| Topological Polar Surface Area | 30.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 494.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (12S,15R,17S,19S)-6,8,16-trioxa-1-azahexacyclo[13.3.2.03,11.05,9.012,17.012,19]icosa-3,5(9),10,13-tetraene |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C16H15NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QMGIUGSXVRJVRE-LTTZEQNMSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.804 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.364 |
| Compound Name | Apohaemanthamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 269.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 269.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 269.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.82156 |
| Inchi | InChI=1S/C16H15NO3/c1-2-16-11-5-13-12(18-8-19-13)3-9(11)6-17-7-15(16)20-10(1)4-14(16)17/h1-3,5,10,14-15H,4,6-8H2/t10-,14-,15+,16-/m0/s1 |
| Smiles | C1[C@@H]2C=C[C@]34[C@H]1N(C[C@H]3O2)CC5=CC6=C(C=C45)OCO6 |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Brunsvigia Radulosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eucharis Amazonica (Plant) Rel Props:Source_db:cmaup_ingredients