6-Deoxybikaverin
PubChem CID: 44419567
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| Compound Synonyms | 6-deoxybikaverin, 11-hydroxy-3,8-dimethoxy-1-methylbenzo[b]xanthene-7,10,12-trione, 11-hydroxy-3,8-dimethoxy-1-methylbenzo(b)xanthene-7,10,12-trione, CHEMBL217913, CHEBI:204682 |
|---|---|
| Topological Polar Surface Area | 99.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 698.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11-hydroxy-3,8-dimethoxy-1-methylbenzo[b]xanthene-7,10,12-trione |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Is Pains | True |
| Molecular Formula | C20H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JZXLAKYPIMLXFU-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 6-Deoxybikaverin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 366.074 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 366.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 366.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.7254187037037045 |
| Inchi | InChI=1S/C20H14O7/c1-8-4-9(25-2)5-12-15(8)19(23)17-13(27-12)6-10-16(20(17)24)11(21)7-14(26-3)18(10)22/h4-7,24H,1-3H3 |
| Smiles | CC1=CC(=CC2=C1C(=O)C3=C(O2)C=C4C(=C3O)C(=O)C=C(C4=O)OC)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sageretia Theezans (Plant) Rel Props:Source_db:cmaup_ingredients