Cudratricusxanthone J
PubChem CID: 16757393
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| Compound Synonyms | CUDRATRICUSXANTHONE J, CHEMBL395246, 5,8,9-trihydroxy-1,1,2-trimethyl-7-(3-methylbut-2-enyl)-2H-furo(2,3-c)xanthen-6-one, 5,8,9-trihydroxy-1,1,2-trimethyl-7-(3-methylbut-2-enyl)-2H-furo[2,3-c]xanthen-6-one, BDBM50217272, 1,6,7-trihydroxy-8-(3-methylbut-2-enyl)-4'',5''-dihydro-4'',4'',5''-trimethylfurano-(3,4:2'',3'')-xanthone, 947395-49-5 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 683.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q64133, n.a. |
| Iupac Name | 5,8,9-trihydroxy-1,1,2-trimethyl-7-(3-methylbut-2-enyl)-2H-furo[2,3-c]xanthen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.7 |
| Molecular Formula | C23H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GIEMQAXHAKGAAH-UHFFFAOYSA-N |
| Fcsp3 | 0.3478260869565217 |
| Logs | -3.419 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.132 |
| Compound Name | Cudratricusxanthone J |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 396.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 396.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 396.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.448063179310347 |
| Inchi | InChI=1S/C23H24O6/c1-10(2)6-7-12-17-15(9-14(25)20(12)26)29-22-18(21(17)27)13(24)8-16-19(22)23(4,5)11(3)28-16/h6,8-9,11,24-26H,7H2,1-5H3 |
| Smiles | CC1C(C2=C(O1)C=C(C3=C2OC4=C(C3=O)C(=C(C(=C4)O)O)CC=C(C)C)O)(C)C |
| Nring | 4.0 |
| 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