S-(+)-3-hydroxynornantenine
PubChem CID: 52943336
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| Compound Synonyms | CHEBI:70640, S-(+)-3-hydroxynornantenine, CHEMBL1618043, Q27138973 |
|---|---|
| Topological Polar Surface Area | 69.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 504.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (12S)-18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),9,16(20),17-hexaen-17-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C19H19NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VEIMKBPJMXUHHF-LBPRGKRZSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -1.902 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.313 |
| Compound Name | S-(+)-3-hydroxynornantenine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 341.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 341.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 341.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7042506000000004 |
| Inchi | InChI=1S/C19H19NO5/c1-22-18-16-11-7-14-13(24-8-25-14)6-9(11)5-12-15(16)10(3-4-20-12)17(21)19(18)23-2/h6-7,12,20-21H,3-5,8H2,1-2H3/t12-/m0/s1 |
| Smiles | COC1=C2C3=CC4=C(C=C3C[C@H]5C2=C(CCN5)C(=C1OC)O)OCO4 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Glabra (Plant) Rel Props:Source_db:cmaup_ingredients