5,7,4'-Trihydroxy-2'-methoxy-6,3'-diprenylisoflavone
PubChem CID: 44257315
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| Compound Synonyms | 2'-Methoxylupalbigenin, 5,7,4'-Trihydroxy-2'-methoxy-6,3'-diprenylisoflavone, LMPK12050293 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 760.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 6.5 |
| Molecular Formula | C26H28O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QAVJDDXEMMJOSR-UHFFFAOYSA-N |
| Fcsp3 | 0.2692307692307692 |
| Logs | -5.16 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.817 |
| Compound Name | 5,7,4'-Trihydroxy-2'-methoxy-6,3'-diprenylisoflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 436.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 436.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 436.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.111324800000002 |
| Inchi | InChI=1S/C26H28O6/c1-14(2)6-8-17-21(28)12-22-23(24(17)29)25(30)19(13-32-22)16-10-11-20(27)18(26(16)31-5)9-7-15(3)4/h6-7,10-13,27-29H,8-9H2,1-5H3 |
| Smiles | CC(=CCC1=C(C=CC(=C1OC)C2=COC3=C(C2=O)C(=C(C(=C3)O)CC=C(C)C)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polygonum Salicifolium (Plant) Rel Props:Source_db:cmaup_ingredients