Cudratricusxanthone K
PubChem CID: 16757289
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| Compound Synonyms | CUDRATRICUSXANTHONE K, CHEMBL228335, BDBM50217268, 1,6,7-trihydroxy-3-methoxy-2,4-(3-methylbut-2-enyl)-xanthone, 1,6,7-trihydroxy-3-methoxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one, 947395-50-8 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 677.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q64133, n.a. |
| Iupac Name | 1,6,7-trihydroxy-3-methoxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.3 |
| Molecular Formula | C24H26O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NHJUGTUGZNCOKP-UHFFFAOYSA-N |
| Fcsp3 | 0.2916666666666667 |
| Logs | -2.676 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.307 |
| Compound Name | Cudratricusxanthone K |
| 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 | -6.696822533333335 |
| Inchi | InChI=1S/C24H26O6/c1-12(2)6-8-14-21(27)20-22(28)16-10-17(25)18(26)11-19(16)30-24(20)15(23(14)29-5)9-7-13(3)4/h6-7,10-11,25-27H,8-9H2,1-5H3 |
| Smiles | CC(=CCC1=C(C2=C(C(=C1OC)CC=C(C)C)OC3=CC(=C(C=C3C2=O)O)O)O)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