Cycloaltilisin 7
PubChem CID: 11811595
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Cycloaltilisin 7, CHEMBL494579, 5,4'-Dihydroxy-6''-methyl,6''-(4-methylpent-3-enyl)-pyrano[2'',3'':7,8]flavanone, 5-hydroxy-2-(4-hydroxyphenyl)-8-methyl-8-(4-methylpent-3-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one, 5,4'-Dihydroxy-6''-methyl,6''-(4-methylpent-3-enyl)-pyrano(2'',3'':7,8)flavanone, 5-hydroxy-2-(4-hydroxyphenyl)-8-methyl-8-(4-methylpent-3-enyl)-2,3-dihydropyrano(2,3-h)chromen-4-one, CHEBI:186679, BDBM50260287, LMPK12140317, 432041-07-1 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 688.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P43235 |
| Iupac Name | 5-hydroxy-2-(4-hydroxyphenyl)-8-methyl-8-(4-methylpent-3-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT3595 |
| Xlogp | 5.6 |
| Molecular Formula | C25H26O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VSBUTPUUSVOZDI-UHFFFAOYSA-N |
| Fcsp3 | 0.32 |
| Logs | -3.384 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.562 |
| Compound Name | Cycloaltilisin 7 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 406.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 406.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 406.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.9327636 |
| Inchi | InChI=1S/C25H26O5/c1-15(2)5-4-11-25(3)12-10-18-22(30-25)14-20(28)23-19(27)13-21(29-24(18)23)16-6-8-17(26)9-7-16/h5-10,12,14,21,26,28H,4,11,13H2,1-3H3 |
| Smiles | CC(=CCCC1(C=CC2=C(O1)C=C(C3=C2OC(CC3=O)C4=CC=C(C=C4)O)O)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Altilis (Plant) Rel Props:Source_db:npass_chem_all