Tricrozarin B
PubChem CID: 135596588
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| Compound Synonyms | Tricrozarin B, 3560-71-2, 2,3,6-Trimethoxynaphthazarin, 1,4-Naphthalenedione, 5,8-dihydroxy-2,3,6-trimethoxy-, 5,8-dihydroxy-2,6,7-trimethoxynaphthalene-1,4-dione, DTXSID60956978, 5,8-dihydroxy-2,3,6-trimethoxynaphthalene-1,4-dione |
|---|---|
| Topological Polar Surface Area | 102.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 456.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,8-dihydroxy-2,3,6-trimethoxynaphthalene-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C13H12O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BMXJCHIEWJGGAA-UHFFFAOYSA-N |
| Fcsp3 | 0.2307692307692307 |
| Logs | -3.192 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.072 |
| Compound Name | Tricrozarin B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.058 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 280.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9685384 |
| Inchi | InChI=1S/C13H12O7/c1-18-6-4-5(14)7-8(9(6)15)11(17)13(20-3)12(19-2)10(7)16/h4,14-15H,1-3H3 |
| Smiles | COC1=C(C2=C(C(=C1)O)C(=O)C(=C(C2=O)OC)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tritonia Crocosmaeflora (Plant) Rel Props:Source_db:cmaup_ingredients