6-Methylaromadendrin
PubChem CID: 21721860
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| Compound Synonyms | 6-methylaromadendrin, CHEMBL561048 |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 419.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-methyl-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C16H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SHFQHROZLCTSKD-JKSUJKDBSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.046 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.035 |
| Compound Name | 6-Methylaromadendrin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 302.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1038847636363642 |
| Inchi | InChI=1S/C16H14O6/c1-7-10(18)6-11-12(13(7)19)14(20)15(21)16(22-11)8-2-4-9(17)5-3-8/h2-6,15-19,21H,1H3/t15-,16+/m0/s1 |
| Smiles | CC1=C(C2=C(C=C1O)O[C@@H]([C@H](C2=O)O)C3=CC=C(C=C3)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lespedeza Cyrtobotrya (Plant) Rel Props:Source_db:cmaup_ingredients