Maculosidine
PubChem CID: 68222
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| Compound Synonyms | Maculosidine, Maculosidin, 522-19-0, 4,6,8-Trimethoxyfuro[2,3-b]quinoline, Makulozidin, 6,8-Dimethoxydictamnine, 6,8-Dimethoxydictaminine, Furo(2,3-b)quinoline, 4,6,8-trimethoxy-, CCRIS 3578, TNH45PI9WI, NSC83431, NSC 83431, BRN 0257496, Furo[2,3-b]quinoline,4,6,8-trimethoxy-, UNII-TNH45PI9WI, NSC-83431, CHEBI:6630, DTXSID70200232, 4-27-00-02296 (Beilstein Handbook Reference), Furo[2,3-b]quinoline, 4,6,8-trimethoxy-, 4,6,8-TRIMETHOXYFURO(2,3-B)QUINOLINE, CHEMBL1966898, Furo[2, 4,6,8-trimethoxy-, DTXCID70122723, HY-N10094, AKOS030601133, FS-8239, DA-55168, NCI60_041837, 4,6,8-Trimethoxyfuro[2,3-b]quinoline #, CS-0255550, Q27107283 |
|---|---|
| Topological Polar Surface Area | 53.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 314.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,6,8-trimethoxyfuro[2,3-b]quinoline |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C14H13NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SHAVHFJCSQWTFF-UHFFFAOYSA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -3.901 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.098 |
| Compound Name | Maculosidine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 259.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 259.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 259.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5449339894736838 |
| Inchi | InChI=1S/C14H13NO4/c1-16-8-6-10-12(11(7-8)17-2)15-14-9(4-5-19-14)13(10)18-3/h4-7H,1-3H3 |
| Smiles | COC1=CC2=C(C(=C1)OC)N=C3C(=C2OC)C=CO3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Volubile (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aeollanthus Buchnerianus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cynoglossum Viridiflorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Derris Malaccensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Echium Plantagineum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Helianthus Niveus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Hernandia Sonora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Leptospermum Recurvum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all