4,9-dihydroxy-2-(2-hydroxypropan-2-yl)-11-(3-methylbut-2-enyl)-3,10-dihydro-2H-furo[3,2-b]acridin-5-one
PubChem CID: 10810695
Connections displayed (default: 10).
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| Topological Polar Surface Area | 99.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 672.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,9-dihydroxy-2-(2-hydroxypropan-2-yl)-11-(3-methylbut-2-enyl)-3,10-dihydro-2H-furo[3,2-b]acridin-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C23H25NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OWZCKIOXGYFDRM-UHFFFAOYSA-N |
| Fcsp3 | 0.3478260869565217 |
| Logs | -2.699 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.152 |
| Compound Name | 4,9-dihydroxy-2-(2-hydroxypropan-2-yl)-11-(3-methylbut-2-enyl)-3,10-dihydro-2H-furo[3,2-b]acridin-5-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 395.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 395.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 395.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.212162379310346 |
| Inchi | InChI=1S/C23H25NO5/c1-11(2)8-9-13-19-17(20(26)12-6-5-7-15(25)18(12)24-19)21(27)14-10-16(23(3,4)28)29-22(13)14/h5-8,16,25,27-28H,9-10H2,1-4H3,(H,24,26) |
| Smiles | CC(=CCC1=C2C(=C(C3=C1NC4=C(C3=O)C=CC=C4O)O)CC(O2)C(C)(C)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atalantia Buxifolia (Plant) Rel Props:Source_db:cmaup_ingredients