Alizarin
PubChem CID: 6293
Connections displayed (default: 10).
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| Compound Synonyms | Alizarin, 72-48-0, Alizarin Red, 1,2-dihydroxyanthracene-9,10-dione, Mordant Red 11, 1,2-Dihydroxyanthraquinone, 1,2-Dihydroxy-9,10-anthracenedione, Alizarin B, Turkey Red, ALIZARINE, 1,2-Anthraquinonediol, Alizarina, Alizarine Red, Eljon Madder, Alizarine B, Alizarine NAC, Alizarine Red B, Alizarine Red L, Alizerine NAC, Eljon Madder M, 1,2-Dihydroxy-9,10-anthraquinone, Alizarine 3B, Alizarine L paste, Alizarine Red IP, Turkey Red W, Alizarine indicator, Alizarine Red B2, Certiqual Alizarine, Alizarine Red IPP, Alizerine Red IPP, Mitsui Alizarine B, Sanyo Carmine L2B, Mitsui Alizarine BS, Certiqual Alizarine D, Alizarine Lake Red 2P, Alizarine Lake Red 3P, Alizarine Lake Red IPX, C.I. Mordant Red 11, 1,2-Dihydroxyanthra-9,10-quinone, C.I. Mordant Red 11C, 1,2-Dihydroxy anthraquinone, D And C Orange Number 15, D and C Orange Number 15D, Deep Crimson Madder 10821, Deep Crimson Madder 10821E, 1,2-Dihydroxyanthrachinon, C.I. 58000, Alizarine paste 20% bluish, 9,10-Anthracenedione, 1,2-dihydroxy-, Alizarine Paste 20 percent Bluish, C.I. 58000C, 1,2-Dihydroxy-anthraquinone, D and C Orange No. 15, Anthraquinonic, CCRIS 3530, Anthraquinone, 1,2-dihydroxy-, CHEBI:16866, NSC7212, CI 58000, NSC 7212, EINECS 200-782-5, UNII-60MEW57T9G, MFCD00001201, BRN 1914037, 60MEW57T9G, 1322-60-7, DTXSID5045960, AI3-18244, NSC-7212, 1,2-dihydroxy-9,10-dihydroanthracene-9,10-dione, DIHYDROXY-9,10-ANTHRACENEDIONE, CHEMBL55814, DTXCID3025960, ROUGE COVALAC W 3514, 4-08-00-03256 (Beilstein Handbook Reference), Az, D&C ORANGE NO. 15 (DELISTED), NCGC00095227-01, Turkey Red (VAN), CAS-72-48-0, 1,2-Dihydroxyanthrachinon [Czech], Hystazarin, Pincoffin, Alizarin (C.I. 58000), Alizarin, p.a., Alizarin (Standard), Sanyo Carmine l2BT, ATHRAQUINONES A, Spectrum_000386, SpecPlus_000320, 9, 1,2-dihydroxy-, ALIZARIN [MI], Spectrum2_000397, Spectrum3_000262, Spectrum4_001555, Spectrum5_000150, Epitope ID:116187, SCHEMBL18614, BSPBio_001704, CBDivE_014227, KBioGR_002050, KBioSS_000866, SPECTRUM210850, MLS002207283, DivK1c_006416, Alizarin, Dye content 97 %, SPBio_000613, HY-N0563R, KBio1_001360, KBio2_000866, KBio2_003434, KBio2_006002, KBio3_001204, HMS1923C03, HMS3651P05, 1,10-dihydroxy-2,9-anthraquinone, 2,9-dihydroxy-1,10-anthraquinone, 9,10-dihydroxy-1,2-anthraquinone, HY-N0563, Tox21_111486, BBL027327, BDBM50206434, CCG-38668, s2526, STK801841, AKOS001639988, Tox21_111486_1, 1,2-Dihydroxyanthra-9,10-quinone #, 9,10-Anthraquinone, 1,2-dihydroxy-, FA39740, FS-3935, LN: L C666 BV IVJ EQ FQ1, SDCCGMLS-0066502.P001, NCGC00095227-02, NCGC00095227-03, NCGC00095227-04, NCGC00095227-06, 1,2-bis(oxidanyl)anthracene-9,10-dione, AC-11708, DA-50329, NCI60_041501, SMR001306798, SY012985, 1,2-Dihydroxyanthraquinone, Mordant Red 11, CS-0009103, D0242, NS00013520, SW101224-2, C01474, EN300-136088, F17721, A837539, AE-641/00185064, Q267813, SR-05000002485, SR-05000002485-1, BRD-K73191876-001-04-7, BRD-K73191876-001-11-2, BRD-K73191876-001-12-0, F0905-1727, 200-782-5, InChI=1/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18 |
|---|---|
| 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 | O=Ccccccc6C=O)cc%10cccc6O))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 | 378.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P03372, n.a., Q5VLE3, Q99873, Q03164, P46063, Q99714, B2RXH2, P27695, Q16637, P10636, P00352, P97697, P16050, P18054, P28482, P15428, P08684, O75164, Q99816, Q92830, O15296, Q13951, O95149, Q14145, P83916, P39748, Q9Y253, Q63470, Q9UBT6, O94782, P22309, Q9HAW8, P35503, P22310, P19224, Q9HAW9, O60656, P54855, P08659, P07378, O75496, Q99700, Q14191, Q13526, Q77YF9, P10415, Q07820, Q13148, Q4GZG4, Q9Y6L6, Q9NPD5, P53350, P63092, Q9UNA4, P21397, P27338, Q16678, Q72547, P04585, Q16236 |
| Iupac Name | 1,2-dihydroxyanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Class | Anthracenes |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT4245, NPT47, NPT149, NPT48, NPT49, NPT93, NPT51, NPT94, NPT792, NPT1119, NPT282, NPT151, NPT109, NPT980, NPT57, NPT261, NPT1604 |
| 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 | RGCKGOZRHPZPFP-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0 |
| Logs | -3.918 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.346 |
| Synonyms | 1,2-Anthraquinonediol, 1,2-Dihydroxy-9,10-anthraquinone, 1,2-Dihydroxyanthra-9,10-quinone, 1,2-Dihydroxyanthraquinone, Alizarin b, Alizarin red, Az, C.I. 58000, Dihydroxy-9,10-anthracenedione, Dihydroxyanthraquinone, Mordant red 11, Pigment red 83, Turkey red, Alizarine, alizarin, free alizarin |
| Esol Class | Soluble |
| Functional Groups | cC(c)=O, cO |
| Compound Name | Alizarin |
| 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 | -3.813460133333333 |
| Inchi | InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H |
| Smiles | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Hydroxyanthraquinones |
| Np Classifier Superclass | Polycyclic aromatic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Alangium Platanifolium (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Asperula Odora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Asperula Odorata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Cassia Obtusifolia (Plant) Rel Props:Source_db:npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cinchona Pubescens (Plant) Rel Props:Reference:ISBN:9788172362089 - 6. Outgoing r'ship
FOUND_INto/from Croton Penduliflorus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Galium Verum (Plant) Rel Props:Reference:ISBN:9780387706375 - 8. Outgoing r'ship
FOUND_INto/from Litsea Konishii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Lychnophora Columnaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Morinda Citrifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Morinda Umbellata (Plant) Rel Props:Source_db:npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Oldenlandia Umbellata (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9789327275590 - 13. Outgoing r'ship
FOUND_INto/from Polygonum Cuspidatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Populus Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Rheum Coreanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Rheum Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Rheum Palmatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Rheum Tanguticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Rubia Akane (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Rubia Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Rubia Tinctorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Senna Obtusifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 23. Outgoing r'ship
FOUND_INto/from Vepris Louisii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Vitex Negundo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all