Neohuperzinine
PubChem CID: 5320090
Connections displayed (default: 10).
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| Compound Synonyms | Neohuperzinine, CHEBI:229181, (6R,8S)-2,8-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-7-one |
|---|---|
| Topological Polar Surface Area | 60.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 502.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6R,8S)-2,8-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.7 |
| Molecular Formula | C16H23NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MHIXQTTVSWRWAI-VOBIKVOXSA-N |
| Fcsp3 | 0.8125 |
| Logs | -3.53 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.316 |
| Compound Name | Neohuperzinine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 277.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 277.168 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 277.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0258567999999997 |
| Inchi | InChI=1S/C16H23NO3/c1-10-8-12-14(19)13(18)11-4-2-6-17-7-3-5-15(11,12)16(17,20)9-10/h4,10,12-13,18,20H,2-3,5-9H2,1H3/t10?,12-,13-,15?,16?/m0/s1 |
| Smiles | CC1C[C@H]2C(=O)[C@H](C3=CCCN4CCCC23C4(C1)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Huperzia Serrata (Plant) Rel Props:Source_db:cmaup_ingredients