Lespeflorin G8
PubChem CID: 25242997
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| Compound Synonyms | Lespeflorin G8, CHEBI:66568, (6aR,11aR)-3,9-dimethoxy-10-(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol, CHEMBL550774, DTXSID701111306, 1108717-75-4, Q27135181, (6aR,11aR)-3,9-dimethoxy-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol, (6aR,11aR)-6a,11a-Dihydro-3,9-dimethoxy-10-(3-methyl-2-buten-1-yl)-6H-benzofuro[3,2-c][1]benzopyran-8-ol |
|---|---|
| Topological Polar Surface Area | 57.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 545.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6aR,11aR)-3,9-dimethoxy-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C22H24O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KSFWNDOCIUMRTJ-PXNSSMCTSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -4.298 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.943 |
| Compound Name | Lespeflorin G8 |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 368.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 368.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.030448688888889 |
| Inchi | InChI=1S/C22H24O5/c1-12(2)5-7-15-21-16(10-18(23)22(15)25-4)17-11-26-19-9-13(24-3)6-8-14(19)20(17)27-21/h5-6,8-10,17,20,23H,7,11H2,1-4H3/t17-,20-/m0/s1 |
| Smiles | CC(=CCC1=C2C(=CC(=C1OC)O)[C@@H]3COC4=C([C@@H]3O2)C=CC(=C4)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lespedeza Floribunda (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all