Tricrozarin A
PubChem CID: 129974
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| Compound Synonyms | Tricrozarin A, 107817-60-7, 4,9-dihydroxy-6,7-dimethoxybenzo[f][1,3]benzodioxole-5,8-dione, 2,3-Dimethoxy-6,7-methylenedioxynaphthazarin, CHEBI:9697, CHEMBL477887, DTXSID40148293, 4,9-Dihydroxy-6,7-dimethoxynaphtho(2,3-d)-1,3-dioxole-5,8-dione, 5,8-Dihydroxy-2,3-dimethoxy-6,7-methylenedioxy-1,4-naphthoquinone, 4,9-dihydroxy-6,7-dimethoxy-benzo[f][1,3]benzodioxole-5,8-dione, Naphtho(2,3-d)-1,3-dioxole-5,8-dione, 4,9-dihydroxy-6,7-dimethoxy-, AC1L2WJQ, 4,9-dihydroxy-6,7-dimethoxy-benzo(f)(1,3)benzodioxole-5,8-dione, 4,9-dihydroxy-6,7-dimethoxybenzo(f)(1,3)benzodioxole-5,8-dione, 4,9-Dihydroxy-6,7-dimethoxynaphtho[2,3-d]-1,3-dioxole-5,8-dione, SureCN10594880, SureCN10595245, DTXCID0070784, SCHEMBL10594115, SCHEMBL10594880, SCHEMBL10595245, Q27108472 |
|---|---|
| Topological Polar Surface Area | 112.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 468.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,9-dihydroxy-6,7-dimethoxybenzo[f][1,3]benzodioxole-5,8-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C13H10O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RKJCLPSFLUKWQY-UHFFFAOYSA-N |
| Fcsp3 | 0.2307692307692307 |
| Logs | -3.199 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.689 |
| Compound Name | Tricrozarin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 294.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.038 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 294.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.016161571428571 |
| Inchi | InChI=1S/C13H10O8/c1-18-10-6(14)4-5(7(15)11(10)19-2)9(17)13-12(8(4)16)20-3-21-13/h16-17H,3H2,1-2H3 |
| Smiles | COC1=C(C(=O)C2=C(C1=O)C(=C3C(=C2O)OCO3)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Tritonia Crocosmaeflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all