6,10-dihydroxy-11-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
PubChem CID: 86765296
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| Compound Synonyms | CHEMBL3297832, BDBM50021616 |
|---|---|
| Topological Polar Surface Area | 88.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 576.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,10-dihydroxy-11-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one |
| Prediction Hob | 1.0 |
| Target Id | NPT1423, NPT3240, NPT1682, NPT1683, NPT3231, NPT3274, NPT3399, NPT3460, NPT1681, NPT3114 |
| Xlogp | 3.7 |
| Molecular Formula | C19H17NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | COUZVMMRGYONAQ-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.478 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.728 |
| Compound Name | 6,10-dihydroxy-11-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 339.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 339.111 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 339.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.404551400000001 |
| Inchi | InChI=1S/C19H17NO5/c1-19(2)7-6-9-13(25-19)8-12(22)14-15(9)20-16-10(17(14)23)4-5-11(21)18(16)24-3/h4-8,21-22H,1-3H3,(H,20,23) |
| Smiles | CC1(C=CC2=C(O1)C=C(C3=C2NC4=C(C3=O)C=CC(=C4OC)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycosmis Chlorosperma (Plant) Rel Props:Source_db:cmaup_ingredients