Cusparine
PubChem CID: 442893
Connections displayed (default: 10).
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| Compound Synonyms | Cusparine, Cusparine [MI], 529-92-0, UNII-2O6Z9S15DF, 2O6Z9S15DF, 4-Methoxy-2-(3,4-methylenedioxyphenethyl)quinoline, 2-(2-(1,3-Benzodioxol-5-yl)ethyl)-4-methoxyquinoline, Quinoline, 2-(2-(1,3-benzodioxol-5-yl)ethyl)-4-methoxy-, 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxyquinoline, CHEBI:3964, CHEMBL456954, DTXSID70331994, C10655, AKOS000277515, 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-quinoline, AC1L9DLB, 2-(2-(1,3-benzodioxol-5-yl)ethyl)-4-methoxy-quinoline, SureCN952682, SCHEMBL952682, DTXCID50283088, Q5795071 |
|---|---|
| Topological Polar Surface Area | 40.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 391.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxyquinoline |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C19H17NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RIXOVHWIYRZQDC-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -5.679 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.814 |
| Compound Name | Cusparine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 307.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 307.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 307.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.661246408695653 |
| Inchi | InChI=1S/C19H17NO3/c1-21-18-11-14(20-16-5-3-2-4-15(16)18)8-6-13-7-9-17-19(10-13)23-12-22-17/h2-5,7,9-11H,6,8,12H2,1H3 |
| Smiles | COC1=CC(=NC2=CC=CC=C21)CCC3=CC4=C(C=C3)OCO4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anisodus Luridus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Anisodus Tanguticus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Atropa Belladonna (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Convolvulus Erinaceus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Datura Inoxia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Datura Stramonium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Erythroxylum Coca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Galipea Officinalis (Plant) Rel Props:Source_db:npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Hyoscyamus Niger (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Peperomia Pellucida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Physochlaina Physaloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all