Nornuciferidine
PubChem CID: 183520
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| Compound Synonyms | Nornuciferidine, 112494-69-6, DTXSID30150067, (6aS,7S)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-ol, CHEMBL4279962, DTXCID6072558, 4H-Dibenzo[de,g]quinolin-7-ol, 5,6,6a,7-tetrahydro-1,2-dimethoxy-, (6aS-cis)- (9CI) |
|---|---|
| Topological Polar Surface Area | 50.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 404.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6aS,7S)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-ol |
| Prediction Hob | 1.0 |
| Target Id | NPT226 |
| Xlogp | 1.9 |
| Molecular Formula | C18H19NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KFMXRGXNQZECTP-IRXDYDNUSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -5.434 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.279 |
| Compound Name | Nornuciferidine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 297.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 297.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 297.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.120731163636364 |
| Inchi | InChI=1S/C18H19NO3/c1-21-13-9-10-7-8-19-16-14(10)15(18(13)22-2)11-5-3-4-6-12(11)17(16)20/h3-6,9,16-17,19-20H,7-8H2,1-2H3/t16-,17-/m0/s1 |
| Smiles | COC1=C(C2=C3[C@@H]([C@H](C4=CC=CC=C42)O)NCCC3=C1)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients