Lespeflorin G7
PubChem CID: 25243162
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| Compound Synonyms | Lespeflorin G7, (6aR,11aR)-8-methoxy-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-(1)benzofuro(3,2-c)chromene-3,9-diol, (6aR,11aR)-8-methoxy-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol, CHEMBL560103 |
|---|---|
| Topological Polar Surface Area | 68.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 530.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6aR,11aR)-8-methoxy-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C21H22O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JZCLWJAANXMNAY-JXFKEZNVSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.685 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.453 |
| Compound Name | Lespeflorin G7 |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 354.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 354.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.814230861538461 |
| Inchi | InChI=1S/C21H22O5/c1-11(2)4-6-14-19(23)18(24-3)9-15-16-10-25-17-8-12(22)5-7-13(17)20(16)26-21(14)15/h4-5,7-9,16,20,22-23H,6,10H2,1-3H3/t16-,20-/m0/s1 |
| Smiles | CC(=CCC1=C2C(=CC(=C1O)OC)[C@@H]3COC4=C([C@@H]3O2)C=CC(=C4)O)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