Quinizarin
PubChem CID: 6688
Connections displayed (default: 10).
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| Compound Synonyms | Quinizarin, 1,4-Dihydroxyanthraquinone, 81-64-1, 1,4-dihydroxyanthracene-9,10-dione, Quinizarine, Chinizarin, Solvent Orange 86, 1,4-Dihydroxyanthrachinon, Smoke Orange R, 1,4-Dihydroxy-9,10-anthraquinone, Macrolex Orange GG, 9,10-Anthracenedione, 1,4-dihydroxy-, Anthraquinone, 1,4-dihydroxy-, 1,4-Dioxyanthraquinone, 1,4-Dihydroxyanthra-9,10-quinone, 103220-12-8, 1,4-Doa, C.I. 58050, 1,4-DIHYDROXY-9,10-ANTHRACENEDIONE, NSC 15367, NSC 646569, CHEBI:37487, MFCD00001209, NSC-15367, NSC-646569, CHEMBL17594, 8S496ZV3CS, DTXSID8044464, DIHYDROXYANTHRAQUINONE, 1,4-, NSC646569, 9, 1,4-dihydroxy-, 1,4-dihydroxy-9,10-dihydroanthracene-9,10-dione, 1,4-Dihydroxy-anthraquinone, 1,4-Doa [Russian], WLN: L C666 BV IVJ DQ GQ, CCRIS 3524, HSDB 5242, 1,4-Dioxyanthraquinone [Russian], 1,4-Dihydroxyanthrachinon [Czech], EINECS 201-368-7, UNII-8S496ZV3CS, CI 58050, AI3-17616, 1,4-Dihydroxy-9,10-anthraquinone, 1,4-Dihydroxyanthraquinone, Smoke Orange R, Quinizarine, 4,9-dihydroxy-1,10-anthraquinone, 9,10-Dihydroxy-1,4-anthraquinone, Quinizarin, 96%, Solvent Orange 86, QUINIZARIN [MI], EC 201-368-7, 1,4 Dihydroxy-Anthraquinone, SCHEMBL160038, MEGxp0_001867, SCHEMBL2639287, DTXCID6024464, ACon1_000101, HY-D0226, NSC15367, NSC40899, Tox21_302041, BBL010354, BDBM50240382, CCG-48149, NSC-40899, NSC229036, STK264108, 1,4-dihydroxy-anthracene-9,10-dione, AKOS001595052, 1,4-Dihydroxy-9,10-anthracene-dione, 1,4-Dihydroxyanthra-9,10-quinone #, 9,10-Anthraquinone, 1,4-dihydroxy-, FD39689, NSC-229036, CAS-81-64-1, NCGC00160196-01, NCGC00160196-02, NCGC00255951-01, Solvent Orange 86, Quinizarin, Quinizarine, AC-11267, AS-14244, DA-57310, NCI60_001089, CS-0010138, D0243, NS00003772, F87345, EN300-6486266, AE-641/02529036, Q906609, SR-01000108129, 1,4-DIHYDROXY-9,10-ANTHRACENEDIONE [HSDB], doi:10.14272/GUEIZVNYDFNHJU-UHFFFAOYSA-N.1, SR-01000108129-1, SR-01000637713-1, F1565-0160, 1,4-Dihydroxyanthraquinone, purum, >=98.0% (HPLC), powder, red-brown, 201-368-7, InChI=1/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2C(C)C2CCCCC12 |
| Np Classifier Class | Anthraquinones and anthrones |
| Deep Smiles | Occcccc6C=O)cccccc6C%10=O)))))))))))O |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Anthracenes |
| Scaffold Graph Node Level | OC1C2CCCCC2C(O)C2CCCCC12 |
| Classyfire Subclass | Anthraquinones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 342.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P03372, n.a., P48730, Q9HCP0, P48729, Q03164, P10636, Q9F4F7, O89049, Q9Z0J5, Q13951, P11473, P22309, P22310, P19224, O60656, P54855, Q02880, Q16236, Q03181, P10275 |
| Iupac Name | 1,4-dihydroxyanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT51 |
| Xlogp | 3.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H8O4 |
| Scaffold Graph Node Bond Level | O=C1c2ccccc2C(=O)c2ccccc21 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GUEIZVNYDFNHJU-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0 |
| Logs | -4.099 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.243 |
| Synonyms | quinizarin, quinizarine |
| Esol Class | Moderately soluble |
| Functional Groups | cC(c)=O, cO |
| Compound Name | Quinizarin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 240.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -4.122160133333333 |
| Inchi | InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H |
| Smiles | C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Polycyclic aromatic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Cassia Obtusifolia (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Polygonum Cuspidatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Rubia Cordifolia (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/17401855 - 4. Outgoing r'ship
FOUND_INto/from Rubia Tinctorum (Plant) Rel Props:Reference:ISBN:9788185042084 - 5. Outgoing r'ship
FOUND_INto/from Senna Obtusifolia (Plant) Rel Props:Source_db:cmaup_ingredients