Psorospermin-Diol
PubChem CID: 44567035
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Psorospermin-diol, (2R)-2-((2R)-1,2-dihydroxypropan-2-yl)-10-hydroxy-5-methoxy-1,2-dihydrofuro(2,3-c)xanthen-6-one, (2R)-2-[(2R)-1,2-dihydroxypropan-2-yl]-10-hydroxy-5-methoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one, CHEMBL524671 |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 554.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R)-2-[(2R)-1,2-dihydroxypropan-2-yl]-10-hydroxy-5-methoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C19H18O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OKYQPZWHWUYPGE-AUUYWEPGSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -4.021 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.203 |
| Compound Name | Psorospermin-Diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 358.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 358.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 358.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5726067384615394 |
| Inchi | InChI=1S/C19H18O7/c1-19(23,8-20)14-6-10-12(25-14)7-13(24-2)15-16(22)9-4-3-5-11(21)17(9)26-18(10)15/h3-5,7,14,20-21,23H,6,8H2,1-2H3/t14-,19-/m1/s1 |
| Smiles | C[C@@](CO)([C@H]1CC2=C3C(=C(C=C2O1)OC)C(=O)C4=C(O3)C(=CC=C4)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ajuga Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Psorospermum Febrifugum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all