Haplopine
PubChem CID: 5281846
Connections displayed (default: 10).
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| Compound Synonyms | Haplopine, 5876-17-5, Heliparvifoline, 4,8-dimethoxyfuro[2,3-b]quinolin-7-ol, CHEBI:5620, Furo(2,3-b)quinolin-7-ol, 4,8-dimethoxy-, 4,8-Dimethoxyfuro[2,3-b]quinolin-7-ol, 7-Hydroxy-8-methoxydictamnine, 4,8-dimethoxy-9H-furo[2,3-b]quinolin-7-one, AC1L4WKL, 4,8-dimethoxyfuro[2,3-b]quinolin-7(9h)-one, EVOXINE_met025, TimTec1_005697, Oprea1_182538, Oprea1_418227, MLS001049015, CHEMBL400257, CHEMBL455007, SCHEMBL15263337, SCHEMBL23494234, DTXSID30974280, HMS1550C21, HMS2270N15, HMS3561H11, FAA87617, HY-N3989, BDBM50480294, BDBM50486609, STK762192, AKOS000635187, AKOS032948939, FS-8605, DA-64023, SMR000387023, CS-0024574, NS00094215, E88897, AG-690/08590013, Furo[2,3-b]quinoline, 4,8-dimethoxy-7-hydroxy-, Q27106828 |
|---|---|
| Topological Polar Surface Area | 64.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 301.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,8-dimethoxyfuro[2,3-b]quinolin-7-ol |
| Prediction Hob | 1.0 |
| Target Id | NPT48, NPT2629 |
| Xlogp | 2.5 |
| Molecular Formula | C13H11NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LJKPBWHZRNQEMO-UHFFFAOYSA-N |
| Fcsp3 | 0.1538461538461538 |
| Logs | -3.298 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.837 |
| Compound Name | Haplopine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 245.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 245.069 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 245.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.344195244444444 |
| Inchi | InChI=1S/C13H11NO4/c1-16-11-7-3-4-9(15)12(17-2)10(7)14-13-8(11)5-6-18-13/h3-6,15H,1-2H3 |
| Smiles | COC1=C2C=COC2=NC3=C1C=CC(=C3OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acronychia Laurifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Agave Deserti (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ageratina Saltillensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Aglaia Pyramidata (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Asclepias Subulata (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Celastrus Monospermus (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Conium Maculatum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Dictamnus Dasycarpus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Esenbeckia Hartmanii (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Eutrochium Purpureum (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Grewia Villosa (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Hortonia Floribunda (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Hosta Sieboldiana (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Inula Salsoloides (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Jacobaea Cannabifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Morinda Coreia (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Oricia Suaveolens (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Passiflora Morifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Salta Triflora (Plant) Rel Props:Source_db:cmaup_ingredients - 20. Outgoing r'ship
FOUND_INto/from Salvia Polystachya (Plant) Rel Props:Source_db:cmaup_ingredients - 21. Outgoing r'ship
FOUND_INto/from Schrebera Swietenoides (Plant) Rel Props:Source_db:cmaup_ingredients - 22. Outgoing r'ship
FOUND_INto/from Senecio Gilliesi (Plant) Rel Props:Source_db:cmaup_ingredients - 23. Outgoing r'ship
FOUND_INto/from Solanum Spirale (Plant) Rel Props:Source_db:cmaup_ingredients - 24. Outgoing r'ship
FOUND_INto/from Sophora Leachiana (Plant) Rel Props:Source_db:cmaup_ingredients - 25. Outgoing r'ship
FOUND_INto/from Talipariti Tiliaceum (Plant) Rel Props:Source_db:cmaup_ingredients - 26. Outgoing r'ship
FOUND_INto/from Trifolium Montanum (Plant) Rel Props:Source_db:cmaup_ingredients - 27. Outgoing r'ship
FOUND_INto/from Vernonia Lilacina (Plant) Rel Props:Source_db:cmaup_ingredients - 28. Outgoing r'ship
FOUND_INto/from Zanthoxylum Cuspidatum (Plant) Rel Props:Source_db:cmaup_ingredients - 29. Outgoing r'ship
FOUND_INto/from Zanthoxylum Integrifoliolum (Plant) Rel Props:Source_db:cmaup_ingredients - 30. Outgoing r'ship
FOUND_INto/from Zanthoxylum Simulans (Plant) Rel Props:Source_db:cmaup_ingredients