Anthraquinone
PubChem CID: 6780
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| Compound Synonyms | ANTHRAQUINONE, 84-65-1, anthracene-9,10-dione, 9,10-Anthraquinone, 9,10-Anthracenedione, Anthradione, 9,10-Dioxoanthracene, Hoelite, Morkit, Corbit, 9,10-Anthrachinon, Anthra-9,10-quinone, Anthrachinon, Anthrapel, 9,10-quinone, Az-Q, Avipel, Kawasaki saq, Caswell No. 052A, NSC 7957, 9,10-Anthracendion, CCRIS 649, DTXSID3020095, CHEBI:40448, HSDB 2074, Anthracene, 9,10-dihydro-9,10-dioxo-, Anthracene-9,10-quinone, UNII-030MS0JBDO, EINECS 201-549-0, 030MS0JBDO, EPA Pesticide Chemical Code 122701, FLIGHT CONTROL, AI3-09073, NSC-7957, 9,10-dihydroanthracene-9,10-dione, MFCD00001188, DTXCID9095, CHEMBL55659, NSC7957, EC 201-549-0, NCGC00094960-03, Anthraquinone 100 microg/mL in Acetonitrile, ANTHRAQUINONE (IARC), ANTHRAQUINONE [IARC], 1,4-bis-[2-(2-hydroxy-ethylamino)-ethylamino]-anthraquinone, Anthraquinone [BSI:ISO], CAS-84-65-1, SAQ, 9,10-Anthrachinon [Czech], 9,10-dihydro-9,10-dioxoanthracene, anthracenequinones, (p) Anthrapel, 9,10-Anthraguinone, Anthraquinone, 97%, 9,10-Anthracendione, Spectrum_001527, SpecPlus_000645, Anthraquinone (Standard), Spectrum2_000405, Spectrum3_001501, Spectrum4_000907, Spectrum5_001897, an anthraquinone derivative, ANTHRAQUINONE [MI], Anthra-9,10-quinone #, Epitope ID:116191, ANTHRAQUINONE [ISO], ANTHRAQUINONE [HSDB], SCHEMBL14943, BSPBio_003141, KBioGR_001374, KBioSS_002007, DivK1c_006741, SPECTRUM1502103, SPBio_000330, HY-N0354R, KBio1_001685, KBio2_002007, KBio2_004575, KBio2_007143, KBio3_002641, Anthraquinone, analytical standard, HMS1921J14, HY-N0354, Tox21_111369, BDBM50094892, CCG-39966, s5168, STK398385, Anthracene,10-dihydro-9,10-dioxo-, 9,10-Dihydro-9,10-diketoanthracene, AKOS000282964, Tox21_111369_1, DS-4810, USEPA/OPP Pesticide Code: 122701, NCGC00094960-01, NCGC00094960-02, NCGC00094960-04, NCGC00094960-06, NCGC00094960-07, AC-12719, DB-005409, A0502, CS-0008907, NS00010810, Anthraquinone, Vetec(TM) reagent grade, 97%, EN300-71612, A-8000, Anthraquinone, PESTANAL(R), analytical standard, AB-131/40003277, Q423174, SR-01000944707, SR-01000944707-1, BRD-K15957397-001-03-4, BRD-K15957397-001-04-2, Melting point standard 283-286C, analytical standard, F0001-2133, Z1142688857, 201-549-0, 71730-08-0, 9,10-anthraquinone, 9,10-anthracenedione, anthraquinone, anthracene-9,10-dione, 9,10-anthraquinone 9,10-anthracenedione anthraquinone anthracene-9,10-dione, 9TA, InChI=1/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2C(C)C2CCCCC12 |
| Np Classifier Class | Anthraquinones and anthrones |
| Deep Smiles | O=Ccccccc6C=O)cc%10cccc6 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Anthracenes |
| Scaffold Graph Node Level | OC1C2CCCCC2C(O)C2CCCCC12 |
| Classyfire Subclass | Anthraquinones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 261.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P03372, Q9R1M7, P30305, P28563, Q64346, Q03164, P02791, P19793, P22309, P25094, Q16236, Q9Y6L6, Q9NPD5, Q9H9B1, Q96KQ7, n.a., Q16654, P0DTD1 |
| Iupac Name | anthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Class | Anthracenes |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT911 |
| Xlogp | 3.4 |
| Superclass | Benzenoids |
| Subclass | Anthraquinones |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H8O2 |
| Scaffold Graph Node Bond Level | O=C1c2ccccc2C(=O)c2ccccc21 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RZVHIXYEVGDQDX-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0 |
| Logs | -5.143 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.994 |
| Synonyms | 9,10-Anthracendion, 9,10-Anthracenedione, 9,10-Anthrachinon, 9,10-Dioxoanthracene, 9,10-Quinone, Anthra-9,10-quinone, Anthrachinon, Anthradione, Az-Q, 9,10-Anthraquinone, 9,10-Anthraquinone, radical ion (1-), Anthraquinone, anthraquinone, anthraquinones |
| Esol Class | Soluble |
| Functional Groups | cC(c)=O |
| Compound Name | Anthraquinone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 208.052 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.052 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 208.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.8216392 |
| Inchi | InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H |
| Smiles | C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Anthraquinones |
| Np Classifier Superclass | Polycyclic aromatic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Seravschanicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aconitum Tasiromontanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Adansonia Grandidieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Aloe Barbadensis (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Aphyllocladus Denticulatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Apocynum Venetum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Arachniodes Exilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Asphodelus Tenuifolius (Plant) Rel Props:Reference:ISBN:9788172362089 - 13. Outgoing r'ship
FOUND_INto/from Aster Sedifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Barleria Cristata (Plant) Rel Props:Reference:ISBN:9780387706375 - 15. Outgoing r'ship
FOUND_INto/from Bassia Muricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
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FOUND_INto/from Cassia Obtusifolia (Plant) Rel Props:Source_db:npass_chem_all - 22. Outgoing r'ship
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FOUND_INto/from Dendriopoterium Menendezii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 27. Outgoing r'ship
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FOUND_INto/from Dodonaea Viscosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 29. Outgoing r'ship
FOUND_INto/from Dysoxylum Cumingianum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 30. Outgoing r'ship
FOUND_INto/from Enceliopsis Argophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 31. Outgoing r'ship
FOUND_INto/from Eria Mollis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 32. Outgoing r'ship
FOUND_INto/from Erigeron Bonariensis (Plant) Rel Props:Reference:ISBN:9788172362300 - 33. Outgoing r'ship
FOUND_INto/from Fallopia Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 34. Outgoing r'ship
FOUND_INto/from Flacourtia Jangomas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 35. Outgoing r'ship
FOUND_INto/from Galium Aparine (Plant) Rel Props:Reference:ISBN:9788172360481; ISBN:9788172362300 - 36. Outgoing r'ship
FOUND_INto/from Galium Verum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/24253392 - 37. Outgoing r'ship
FOUND_INto/from Gymnema Sylvestre (Plant) Rel Props:Reference:ISBN:9789327275590 - 38. Outgoing r'ship
FOUND_INto/from Hemerocallis Fulva (Plant) Rel Props:Reference:ISBN:9788172362140; ISBN:9788185042114 - 39. Outgoing r'ship
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FOUND_INto/from Justicia Secunda (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 43. Outgoing r'ship
FOUND_INto/from Lannea Coromandelica (Plant) Rel Props:Reference:ISBN:9770972795006 - 44. Outgoing r'ship
FOUND_INto/from Lavandula Vera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 45. Outgoing r'ship
FOUND_INto/from Miliusa Velutina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 46. Outgoing r'ship
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FOUND_INto/from Rheum Coreanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 58. Outgoing r'ship
FOUND_INto/from Rheum Emodi (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/20144491 - 59. Outgoing r'ship
FOUND_INto/from Rheum Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 60. Outgoing r'ship
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FOUND_INto/from Rheum Tanguticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 62. Outgoing r'ship
FOUND_INto/from Rheum Undulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 63. Outgoing r'ship
FOUND_INto/from Rubia Akane (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 64. Outgoing r'ship
FOUND_INto/from Rubia Cordifolia (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 65. Outgoing r'ship
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FOUND_INto/from Senecio Subdentatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 70. Outgoing r'ship
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FOUND_INto/from Senna Obtusifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 74. Outgoing r'ship
FOUND_INto/from Senna Occidentalis (Plant) Rel Props:Reference:ISBN:9788172360481 - 75. Outgoing r'ship
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FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Reference:Clinical Studies of Certain Ayurvedic Formulations in the Management of VY?NABALA VAI?AMYA (Essential Hypertension) - 81. Outgoing r'ship
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FOUND_INto/from Ventilago Maderaspatana (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/19800773