Lopac-N-7758
PubChem CID: 6321250
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| Compound Synonyms | Lopac-N-7758, CHEMBL1482236, NCGC00015749-01, SBI-0051453.P002 |
|---|---|
| Topological Polar Surface Area | 70.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 594.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | P19838, P08482, P10635 |
| Iupac Name | (4R,4aS,7aS,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one |
| Prediction Hob | 0.0 |
| Target Id | NPT163, NPT110 |
| Xlogp | 2.1 |
| Molecular Formula | C19H21NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UZHSEJADLWPNLE-DQEVTTJGSA-N |
| Fcsp3 | 0.5263157894736842 |
| Logs | -2.433 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.968 |
| Compound Name | Lopac-N-7758 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 327.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 327.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 327.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2394560000000006 |
| Inchi | InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17-,18+,19-/m1/s1 |
| Smiles | C=CCN1CC[C@]23[C@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all