Lespeflorin G6
PubChem CID: 45270490
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| Compound Synonyms | Lespeflorin G6, (6aR,11aR)-9-methoxy-8-methyl-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-(1)benzofuro(3,2-c)chromen-3-ol, (6aR,11aR)-9-methoxy-8-methyl-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol, CHEMBL550223 |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 528.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6aR,11aR)-9-methoxy-8-methyl-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C22H24O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AUTKSCVETOWBRA-RXVVDRJESA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -3.688 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.153 |
| Compound Name | Lespeflorin G6 |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 352.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 352.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.255604461538462 |
| Inchi | InChI=1S/C22H24O4/c1-12(2)5-7-16-20(24-4)13(3)9-17-18-11-25-19-10-14(23)6-8-15(19)21(18)26-22(16)17/h5-6,8-10,18,21,23H,7,11H2,1-4H3/t18-,21-/m0/s1 |
| Smiles | CC1=CC2=C(C(=C1OC)CC=C(C)C)O[C@@H]3[C@H]2COC4=C3C=CC(=C4)O |
| 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