Securinega Amamine D
PubChem CID: 24762835
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| Compound Synonyms | securinega amamine D, (1S,2S,4S,9S)-4-Methoxy-8,15-dioxa-7-azatetracyclo[7.6.1.01,12.02,7]hexadeca-10,12-dien-14-one, (1S,2S,4S,9S)-4-methoxy-8,15-dioxa-7-azatetracyclo(7.6.1.01,12.02,7)hexadeca-10,12-dien-14-one, CHEMBL250641 |
|---|---|
| Topological Polar Surface Area | 48.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 486.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,2S,4S,9S)-4-methoxy-8,15-dioxa-7-azatetracyclo[7.6.1.01,12.02,7]hexadeca-10,12-dien-14-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.7 |
| Molecular Formula | C14H17NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RYGVDBGZIQLYCQ-OPDFLTKYSA-N |
| Fcsp3 | 0.6428571428571429 |
| Logs | -2.579 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.021 |
| Compound Name | Securinega Amamine D |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 263.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 263.116 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 263.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8537166 |
| Inchi | InChI=1S/C14H17NO4/c1-17-10-4-5-15-12(7-10)14-8-11(19-15)3-2-9(14)6-13(16)18-14/h2-3,6,10-12H,4-5,7-8H2,1H3/t10-,11+,12-,14-/m0/s1 |
| Smiles | CO[C@H]1CCN2[C@@H](C1)[C@]34C[C@H](O2)C=CC3=CC(=O)O4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Securinega Suffruticosa (Plant) Rel Props:Source_db:cmaup_ingredients