Lespeflorin H1
PubChem CID: 25242999
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| Compound Synonyms | Lespeflorin H1, 3-methoxy-10-(3-methylbut-2-enyl)-6H-(1)benzofuro(3,2-c)chromene-8,9-diol, 3-methoxy-10-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-8,9-diol, CHEMBL565008 |
|---|---|
| Topological Polar Surface Area | 72.1 |
| 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 | 0.0 |
| Iupac Name | 3-methoxy-10-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-8,9-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C21H20O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CVWBRDWJOWRQRY-UHFFFAOYSA-N |
| Fcsp3 | 0.238095238095238 |
| Logs | -4.427 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.716 |
| Compound Name | Lespeflorin H1 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 352.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 352.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.227316276923077 |
| Inchi | InChI=1S/C21H20O5/c1-11(2)4-6-14-19(23)17(22)9-15-16-10-25-18-8-12(24-3)5-7-13(18)20(16)26-21(14)15/h4-5,7-9,22-23H,6,10H2,1-3H3 |
| Smiles | CC(=CCC1=C2C(=CC(=C1O)O)C3=C(O2)C4=C(C=C(C=C4)OC)OC3)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