Iryantherin L
PubChem CID: 10053760
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | IRYANTHERIN L, 1-(3-((1S,2S,3R)-1,4-bis(4-hydroxyphenyl)-2,3-dimethylbutyl)-2,4-dihydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one, 1-[3-[(1S,2S,3R)-1,4-bis(4-hydroxyphenyl)-2,3-dimethylbutyl]-2,4-dihydroxy-6-methoxyphenyl]-3-(4-methoxyphenyl)propan-1-one, CHEMBL503892, 250346-09-9 |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 42.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 797.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Uniprot Id | n.a. |
| Iupac Name | 1-[3-[(1S,2S,3R)-1,4-bis(4-hydroxyphenyl)-2,3-dimethylbutyl]-2,4-dihydroxy-6-methoxyphenyl]-3-(4-methoxyphenyl)propan-1-one |
| Prediction Hob | 0.0 |
| Xlogp | 7.8 |
| Molecular Formula | C35H38O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YMKNHLSWQAAXRA-WPLOMWCUSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -3.425 |
| Rotatable Bond Count | 12.0 |
| Logd | 4.523 |
| Compound Name | Iryantherin L |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 570.262 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 570.262 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 570.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.941985542857146 |
| Inchi | InChI=1S/C35H38O7/c1-21(19-24-5-12-26(36)13-6-24)22(2)32(25-10-14-27(37)15-11-25)34-30(39)20-31(42-4)33(35(34)40)29(38)18-9-23-7-16-28(41-3)17-8-23/h5-8,10-17,20-22,32,36-37,39-40H,9,18-19H2,1-4H3/t21-,22+,32+/m1/s1 |
| Smiles | C[C@H](CC1=CC=C(C=C1)O)[C@H](C)[C@@H](C2=CC=C(C=C2)O)C3=C(C(=C(C=C3O)OC)C(=O)CCC4=CC=C(C=C4)OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Iryanthera Lancifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all