Cudratricusxanthone M
PubChem CID: 16757394
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| Compound Synonyms | CUDRATRICUSXANTHONE M, CHEMBL397206, BDBM50217269, 1,3,6,7-tetrahydroxy-4-(1,1-dimethylallyl)-8-(3-hydroxy-3-methylbutyl)xanthone, 2,3,6,8-tetrahydroxy-1-(3-hydroxy-3-methylbutyl)-5-(2-methylbut-3-en-2-yl)xanthen-9-one, 947395-52-0 |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 660.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q64133 |
| Iupac Name | 2,3,6,8-tetrahydroxy-1-(3-hydroxy-3-methylbutyl)-5-(2-methylbut-3-en-2-yl)xanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C23H26O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PMIYVWQFMYYOCU-UHFFFAOYSA-N |
| Fcsp3 | 0.3478260869565217 |
| Logs | -3.717 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.592 |
| Compound Name | Cudratricusxanthone M |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 414.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 414.168 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 414.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.656848133333334 |
| Inchi | InChI=1S/C23H26O7/c1-6-22(2,3)18-13(25)9-12(24)17-20(28)16-11(7-8-23(4,5)29)19(27)14(26)10-15(16)30-21(17)18/h6,9-10,24-27,29H,1,7-8H2,2-5H3 |
| Smiles | CC(C)(CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C(=C(C=C3O)O)C(C)(C)C=C)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cudrania Tricuspidata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all