4H-Dibenzo(de,g)quinolin-3-ol, 5,6,6a,7-tetrahydro-1,2-dimethoxy-, (R)-
PubChem CID: 158223
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| Compound Synonyms | 4H-Dibenzo(de,g)quinolin-3-ol, 5,6,6a,7-tetrahydro-1,2-dimethoxy-, (R)-, 82644-36-8, R-(-)-3-hydroxynornuciferine, CHEBI:70641, 3-hydroxynornuciferine, CHEMBL461698, DTXSID20231935, Q27138974, (6aR)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-3-ol |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | O42275 |
| Iupac Name | (6aR)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C18H19NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AOGVVFDNSYRXJL-CYBMUJFWSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -1.474 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.956 |
| Compound Name | 4H-Dibenzo(de,g)quinolin-3-ol, 5,6,6a,7-tetrahydro-1,2-dimethoxy-, (R)- |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5995311636363634 |
| Inchi | InChI=1S/C18H19NO3/c1-21-17-15-11-6-4-3-5-10(11)9-13-14(15)12(7-8-19-13)16(20)18(17)22-2/h3-6,13,19-20H,7-9H2,1-2H3/t13-/m1/s1 |
| Smiles | COC1=C2C3=CC=CC=C3C[C@@H]4C2=C(CCN4)C(=C1OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citrus Wilsonii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Xanthium Sibiricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all