Hyperidixanthone
PubChem CID: 50899950
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| Compound Synonyms | Hyperidixanthone, CHEBI:70398, Q27138738 |
|---|---|
| Topological Polar Surface Area | 130.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 869.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-1-(4-hydroxy-2,3-dimethoxy-9-oxoxanthen-1-yl)-2,3-dimethoxyxanthen-9-one |
| Prediction Hob | 0.0 |
| Xlogp | 4.8 |
| Molecular Formula | C30H22O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BIXXTGSNLBGJIC-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -5.204 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.485 |
| Compound Name | Hyperidixanthone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 542.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 542.121 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 542.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.102175200000002 |
| Inchi | InChI=1S/C30H22O10/c1-35-27-17(19-21(31)13-9-5-7-11-15(13)39-25(19)23(33)29(27)37-3)18-20-22(32)14-10-6-8-12-16(14)40-26(20)24(34)30(38-4)28(18)36-2/h5-12,33-34H,1-4H3 |
| Smiles | COC1=C(C(=C2C(=C1C3=C4C(=C(C(=C3OC)OC)O)OC5=CC=CC=C5C4=O)C(=O)C6=CC=CC=C6O2)O)OC |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients