Ophiopogonanone G
PubChem CID: 46886411
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| Compound Synonyms | OPHIOPOGONANONE G, (3R)-3-((2,3-dihydroxy-4-methoxyphenyl)methyl)-5,7-dihydroxy-8-methoxy-6-methyl-2,3-dihydrochromen-4-one, (3R)-3-[(2,3-dihydroxy-4-methoxyphenyl)methyl]-5,7-dihydroxy-8-methoxy-6-methyl-2,3-dihydrochromen-4-one, CHEMBL1090923, 5,7-dihydroxy-6-methyl-3(R)-(2,4-dihydroxybenzyl)chroman-4-one |
|---|---|
| Topological Polar Surface Area | 126.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 528.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a. |
| Iupac Name | (3R)-3-[(2,3-dihydroxy-4-methoxyphenyl)methyl]-5,7-dihydroxy-8-methoxy-6-methyl-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C19H20O8 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UGJMSWMTFGFAQD-SNVBAGLBSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -3.536 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.494 |
| Compound Name | Ophiopogonanone G |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 376.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 376.116 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 376.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.002327088888889 |
| Inchi | InChI=1S/C19H20O8/c1-8-13(20)12-15(22)10(7-27-18(12)19(26-3)14(8)21)6-9-4-5-11(25-2)17(24)16(9)23/h4-5,10,20-21,23-24H,6-7H2,1-3H3/t10-/m1/s1 |
| Smiles | CC1=C(C2=C(C(=C1O)OC)OC[C@H](C2=O)CC3=C(C(=C(C=C3)OC)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ophiopogon Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all