Ugonin N
PubChem CID: 44233937
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| Compound Synonyms | UGONIN N, 2-((8aR,10aS)-4-hydroxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-1-yl)-3,5,7-trihydroxychromen-4-one, 2-[(8aR,10aS)-4-hydroxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-1-yl]-3,5,7-trihydroxychromen-4-one, CHEMBL563382, SCHEMBL19665234, 1173928-63-6 |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 806.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2-[(8aR,10aS)-4-hydroxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-1-yl]-3,5,7-trihydroxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C25H26O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RQGIPLQXOXXTRU-CJAUYULYSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.084 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.254 |
| Compound Name | Ugonin N |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 438.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 438.168 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 438.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.804651200000001 |
| Inchi | InChI=1S/C25H26O7/c1-24(2)7-4-8-25(3)18(24)11-14-13(5-6-15(27)22(14)32-25)23-21(30)20(29)19-16(28)9-12(26)10-17(19)31-23/h5-6,9-10,18,26-28,30H,4,7-8,11H2,1-3H3/t18-,25+/m1/s1 |
| Smiles | C[C@]12CCCC([C@H]1CC3=C(C=CC(=C3O2)O)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)O)(C)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Helminthostachys Zeylanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all