Cudraxanthone C
PubChem CID: 44405862
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| Compound Synonyms | cudraxanthone C, CHEMBL200429, BDBM50175017, 3,6,8-trihydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)xanthen-9-one, 3,6,8-trihydroxy-2-methoxy-1-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)-9H-xanthen-9-one, 84955-04-4 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 681.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P35610, O75908, Q64133 |
| Iupac Name | 3,6,8-trihydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)xanthen-9-one |
| Prediction Hob | 1.0 |
| Target Id | NPT1214, NPT2584 |
| Xlogp | 6.3 |
| Molecular Formula | C24H26O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZTYHIXDBHBLOBX-UHFFFAOYSA-N |
| Fcsp3 | 0.2916666666666667 |
| Logs | -3.691 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.713 |
| Compound Name | Cudraxanthone C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 410.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 410.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 410.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.709422533333334 |
| Inchi | InChI=1S/C24H26O6/c1-7-24(4,5)20-15(26)10-14(25)19-21(28)18-13(9-8-12(2)3)22(29-6)16(27)11-17(18)30-23(19)20/h7-8,10-11,25-27H,1,9H2,2-6H3 |
| Smiles | CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C(=C(C=C3O)O)C(C)(C)C=C)O)OC)C |
| 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