Cudraxanthone M
PubChem CID: 11689770
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| Compound Synonyms | cudraxanthone M, CHEMBL371024, 4,7,8-trihydroxy-2,3,3-trimethyl-9-(3-methylbut-2-enyl)-2H-furo(3,2-b)xanthen-5-one, 4,7,8-trihydroxy-2,3,3-trimethyl-9-(3-methylbut-2-enyl)-2H-furo[3,2-b]xanthen-5-one, BDBM50175018, 4,7,8-trihydroxy-2,3,3-trimethyl-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-b]xanthen-5-one |
|---|---|
| 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 | P35610, O75908, P10481, n.a. |
| Iupac Name | 4,7,8-trihydroxy-2,3,3-trimethyl-9-(3-methylbut-2-enyl)-2H-furo[3,2-b]xanthen-5-one |
| Prediction Hob | 1.0 |
| Target Id | NPT1214, NPT2584 |
| Xlogp | 5.7 |
| Molecular Formula | C23H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZYJVDWWKUSJAQY-UHFFFAOYSA-N |
| Fcsp3 | 0.3478260869565217 |
| Logs | -3.377 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.739 |
| Compound Name | Cudraxanthone M |
| 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 | -6.4480631793103464 |
| Inchi | InChI=1S/C23H24O6/c1-10(2)6-7-12-19(25)14(24)8-13-20(26)17-15(29-22(12)13)9-16-18(21(17)27)23(4,5)11(3)28-16/h6,8-9,11,24-25,27H,7H2,1-5H3 |
| Smiles | CC1C(C2=C(O1)C=C3C(=C2O)C(=O)C4=CC(=C(C(=C4O3)CC=C(C)C)O)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