Danthron
PubChem CID: 2950
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| Compound Synonyms | danthron, 1,8-Dihydroxyanthraquinone, 117-10-2, Chrysazin, Dantron, Dorbane, Istizin, Antrapurol, Laxanthreen, Diaquone, Laxanorm, Altan, 1,8-Dihydroxyanthracene-9,10-dione, Laxipurin, Zwitsalax, Danivac, Dionone, Laxipur, 9,10-Anthracenedione, 1,8-dihydroxy-, danthrone, Dantrone, Duolax, 1,8-Dihydroxy-9,10-anthraquinone, Dioxyanthrachinonum, Usaf nd-59, 1,8-Dihydroxyanthrachinon, Prugol, Roydan, Chrysazine, Dantronum, Dorbanex, 1,8-Dihydroxyanthra-9,10-quinone, 1,8-Dihydroxy-9,10-anthracenedione, Criasazin, Dantrona, LTAN, Dantron [INN], 1,8-Dihydroxyanthrachinon [Czech], Pilules Vinchy N.F., 1,8-dioxyanthraquinone, Laxapur, Anthraquinone, 1,8-dihydroxy-, 1,8-Dihydroanthraquinone, NSC7210, Z4XE6IBF3V, 1,8-dihydroxy-anthraquinone, MFCD00001211, NSC 38626, NSC-38626, Dantron (INN), NSC 646568, NSC-646568, CHEBI:3682, 1,8-dihydroxy-9,10-dihydroanthracene-9,10-dione, DTXSID9020328, DANTHRON [HSDB], DANTHRON [MI], DANTRON [IARC], DANTHRON [VANDF], DANTRON [MART.], NSC646568, DANTRON [WHO-DD], Pilules Vinchy N.F. (TN), CHEMBL53418, DTXCID10328, Pastomin, Bancon, Istan, component of Doxan, Neokutin S, component of Modane, NSC38626, Scatron D, component of Doxidan, component of Dorbantyl, NCGC00091367-01, NCGC00091367-05, DITHRANOL IMPURITY B [EP IMPURITY], DANTRON (IARC), 9, 1,8-dihydroxy-, DANTRON (MART.), Anthraquinone,8-dihydroxy-, Dantrone [INN-French], Dantronum [INN-Latin], Dantrona [INN-Spanish], dianthon, 1,4,5,8-Tetroxyantraquinone, 1,8-Dihydroxyanthrachinon (Czech), danthro-lax, WLN: L C666 BV IVJ DQ NQ, Danthron [USP], CAS-117-10-2, DITHRANOL IMPURITY B (EP IMPURITY), CCRIS 3529, EINECS 204-173-5, UNII-Z4XE6IBF3V, Istizine, AI3-38117, HSDB 7764, 3nsq, Danthron, BAN, Dantron, INN, Danthron (Standard), Dorbanex (Salt/Mix), Dorbantyl (Salt/Mix), Spectrum_001750, dihyanthraquin_P41_LT, Spectrum2_000603, Spectrum3_000650, Spectrum4_001682, Spectrum5_000324, dihyanthraquin_P21/n_LT, NCIMech_000114, 1,8-Dihydroxyanthracene-9,10-dione (Danthron), dihyanthraquin_P41212_RT, SCHEMBL83688, BSPBio_002259, KBioGR_001944, KBioSS_002230, SPECTRUM211468, MLS000069608, DivK1c_000284, SPBio_000506, 1,8-DHAQ, MEGxp0_001693, ACon1_000135, BDBM11316, HMS500O06, HY-B0923R, KBio1_000284, KBio2_002230, KBio2_004798, KBio2_007366, KBio3_001479, A06AB03, 1,8-Dihydroxyanthraquinone ,(S), NINDS_000284, 1,8-Dihydroxyanthraquinone, 96%, HMS2091A09, HMS3715F08, Pharmakon1600-00211468, 8,9-dihydroxy-1,10-anthraquinone, BCP31079, HY-B0923, NSC-7210, Tox21_111122, Tox21_200986, BBL013161, CCG-35470, NSC755828, s4561, STK238373, AKOS001583216, Tox21_111122_1, 1,8-Dihydroxyanthra-9,10-quinone #, 9,10-Antiraquinone, 1,8-dihydroxy-, CS-4392, DB04816, FD22098, HS-1003, NSC-755828, IDI1_000284, NCGC00091367-02, NCGC00091367-03, NCGC00091367-04, NCGC00091367-06, NCGC00091367-07, NCGC00091367-08, NCGC00258539-01, 1,8-bis(oxidanyl)anthracene-9,10-dione, DA-72552, NCI60_041443, SMR000059018, SY011288, SBI-0051330.P003, 1,8-Dihydroxy-9,10-anthracenedione, 9CI, D0563, EU-0099935, NS00015698, D07107, F17670, AB00051961_09, Danthron (1,8-Dihydroxyanthracene-9,10-dione), EN300-1693514, A803710, SR-01000721864, Q5221244, SR-01000721864-2, BRD-K10065684-001-02-5, BRD-K10065684-001-03-3, BRD-K10065684-001-06-6, BRD-K10065684-001-07-4, 1,8-Dihydroxyanthraquinone, Vetec(TM) reagent grade, 96%, Dantron, Chrysazin, 1,8-Dihydroxyanthraquinone, 1,4,5,8-tetroxyantraquinone, 1,8-Dihydroxy-9,10-anthracenedione, 1,8-Dihydroxy-9,10-anthraquinone, Chrysazine, Danthron, 204-173-5, CHZ |
|---|---|
| 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)ccC6=O))cccc6O |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Anthracenes |
| Description | Occurs in roots of Rheum palmatum (Turkey rhubarb). Dantron is found in green vegetables. |
| Scaffold Graph Node Level | OC1C2CCCCC2C(O)C2CCCCC12 |
| Classyfire Subclass | Anthraquinones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 346.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P05177, Q9BEG3, P03372, n.a., P68400, Q9Y3R4, P02545, Q99714, P42858, Q16637, P16473, Q9NUW8, P10636, P00352, Q9F4F7, P16050, P28482, P15428, P51450, O89049, Q9Z0J5, Q92830, Q96KQ7, Q9UIF8, P11473, P10828, Q03181, P37231, P22309, Q9HAW8, P19224, Q9HAW7, O60656, P25094, Q16236, P10145, P51449, Q9NR56, P27695, P0DTD1, P10275, P05412 |
| Iupac Name | 1,8-dihydroxyanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Class | Anthracenes |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT483, NPT149, NPT1197, NPT93, NPT210, NPT50, NPT51, NPT94, NPT792, NPT282, NPT151 |
| Xlogp | 3.2 |
| Superclass | Benzenoids |
| Subclass | Anthraquinones |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H8O4 |
| Scaffold Graph Node Bond Level | O=C1c2ccccc2C(=O)c2ccccc21 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QBPFLULOKWLNNW-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0 |
| Logs | -5.575 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 2.8 |
| Synonyms | 1,8-Dihydroanthraquinone, 1,8-Dihydroxy-9,10-anthracenedione, 1,8-Dihydroxy-9,10-anthracenedione, 9CI, 1,8-Dihydroxy-9,10-anthraquinone, 1,8-Dihydroxyanthra-9,10-quinone, 1,8-Dihydroxyanthracene-9,10-dione, 1,8-Dihydroxyanthrachinon, 1,8-Dihydroxyanthraquinone, 1,8-Dioxyanthraquinone, Altan, Antrapurol, Chrysazin, Chrysazine, Criasazin, Danthron, Danthron, BAN, Danthrone, Dantron, INN, Dantrona, Dantrone, Dantronum, Diaquone, Dioxyanthrachinonum, Dorbane, Istizin, Laxanorm, Laxanthreen, Laxipur, Laxipurin, Zwitsalax, Pilules vinchy n.f., Danthane, Dorbanex, Duolax, 1,8-Dihydroxy-9,10-anthracenedione, 9ci, Danthron, ban, Dantron, inn, Dantron, 1,8-dihydroxy anthraquinone, 1,8-dihydroxyanthraquinone, danthron |
| Substituent Name | Anthraquinone, 9,10-anthraquinone, Aryl ketone, Vinylogous acid, Ketone, Hydrocarbon derivative, Organooxygen compound, Aromatic homopolycyclic compound |
| Esol Class | Soluble |
| Functional Groups | cC(c)=O, cO |
| Compound Name | Danthron |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.8134601333333333 |
| Inchi | InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H |
| Smiles | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O |
| 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 Asphodelus Tenuifolius (Plant) Rel Props:Reference:ISBN:9788172362089 - 2. Outgoing r'ship
FOUND_INto/from Cassia Obtusifolia (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cassia Occidentalis (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Cassia Siamea (Plant) Rel Props:Source_db:npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cassia Tora (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Cinchona Calisaya (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Cinchona Ledgeriana (Plant) Rel Props:Source_db:npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Fallopia Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Frangula Purshiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Gynochthodes Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Lepidium Didymum (Plant) Rel Props:Reference:ISBN:9788185042145 - 12. Outgoing r'ship
FOUND_INto/from Polygonum Cuspidatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Rhamnus Crenata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Rheum Palmatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Rumex Acetosa (Plant) Rel Props:Reference:ISBN:9788185042114 - 16. Outgoing r'ship
FOUND_INto/from Rumex Crispus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Senna Obtusifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Senna Occidentalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Senna Siamea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Senna Tora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all