Cudraxanthone L
PubChem CID: 11486277
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| Compound Synonyms | cudraxanthone L, 135541-40-1, 2-(1,1-Dimethyl-2-propenyl)-5-(3-methyl-2-butenyl)-1,3,6,7-tetrahydroxy-9H-xanthen-9-one, 1,3,6,7-tetrahydroxy-2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)xanthen-9-one, CHEMBL197916, 9H-Xanthen-9-one, 2-(1,1-dimethyl-2-propenyl)-1,3,6,7-tetrahydroxy-5-(3-methyl-2-butenyl)-, HY-N3648, KFA54140, BDBM50175013, AKOS032948133, DA-59972, FS-10313, CS-0023994, B0005-164772, 1,3,6,7-tetrahydroxy-5-(3-methylbut-2-enyl)-2-(2-methylbut-3-en-2-yl)-9H-xanthen-9-one, 1,3,6,7-TETRAHYDROXY-5-(3-METHYLBUT-2-EN-1-YL)-2-(2-METHYLBUT-3-EN-2-YL)-9H-XANTHEN-9-ONE |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 666.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P35610, O75908, Q64133, P10481, n.a., Q2KIM0, C0HJB3 |
| Iupac Name | 1,3,6,7-tetrahydroxy-2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)xanthen-9-one |
| Prediction Hob | 1.0 |
| Target Id | NPT1214, NPT2584 |
| Xlogp | 6.0 |
| Molecular Formula | C23H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LVKPSBFBKBJJOB-UHFFFAOYSA-N |
| Fcsp3 | 0.2608695652173913 |
| Logs | -3.164 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.599 |
| Compound Name | Cudraxanthone L |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.492463179310346 |
| Inchi | InChI=1S/C23H24O6/c1-6-23(4,5)18-14(24)10-16-17(21(18)28)20(27)13-9-15(25)19(26)12(22(13)29-16)8-7-11(2)3/h6-7,9-10,24-26,28H,1,8H2,2-5H3 |
| Smiles | CC(=CCC1=C2C(=CC(=C1O)O)C(=O)C3=C(O2)C=C(C(=C3O)C(C)(C)C=C)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