Colchicine
PubChem CID: 6167
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| Compound Synonyms | colchicine, 64-86-8, Colchisol, Colchicinum, Colchicin, Colchicina, Colchineos, Condylon, Colcin, Colsaloid, Colcrys, 7alphaH-Colchicine, Goutnil, Kolkicin, (S)-colchicine, (-)-colchicine, Colchysat, Mitigare, spindle poison, 7-alpha-H-Colchicine, NSC 757, LODOCO, CCRIS 691, Colchcine, NSC757, N-Acetyl trimethylcolchicinic acid methylether, HSDB 3044, NSC-757, UNII-SML2Y3J35T, (S)-colchicina, (S)-colchicin, EINECS 200-598-5, SML2Y3J35T, MFCD00078484, GLOPERBA, (S)-N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide, DTXSID5024845, CHEBI:27882, AI3-31149, Colchicine [USP:JAN], N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide, (S)-Colchicine >95%, CHEMBL107, DTXCID204845, XD25, EC 200-598-5, MITIGARE COMPONENT COLCHICINE, PROBEN-C COMPONENT COLCHICINE, Benzo(a)heptalen-9(5H)-one, 7-acetamido-6,7-dihydro-1,2,3,10-tetramethoxy-, Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-, COLBENEMID COMPONENT COLCHICINE, Colchicine [JAN], Colchicin [German], NCGC00025125-07, Colchicina [Italian], Colchicine (USP:JAN), COLCHICINE (MART.), COLCHICINE [MART.], COLCHICINE (USP-RS), COLCHICINE [USP-RS], COLCHICINE (EP IMPURITY), COLCHICINE [EP IMPURITY], COLCHICINE (EP MONOGRAPH), COLCHICINE [EP MONOGRAPH], COLCHICINE (USP MONOGRAPH), COLCHICINE [USP MONOGRAPH], Colstat, N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)acetamide, Colchicine, Thiocolchicoside Impurity A, Acetamide, N-((7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, Acetamide, N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-, Colchicine (TN), N-[(7s)-1,2,3,10-Tetramethoxy-9-Oxo-6,7-Dihydro-5h-Benzo[d]heptalen-7-Yl]ethanamide, (S)-N-(5,6,7,9-TETRAHYDRO-1,2,3,10-TETRAMETHOXY-9-OXOBENZO(A)HEPTALEN-7-YL)ACETAMIDE, 30512-31-3, ACETAMIDE, N-(5,6,7,9-TETRAHYDRO-1,2,3,10-TETRAMETHOXY-9-OXOBENZO(A)HEPTALEN-7-YL)-,(S)-, LOC, SMR000058323, 7alpha-H-Colchicine, BENZO(A)HEPTALENE, ACETAMIDE DERIV., 7.alpha.H-Colchicine, SR-01000075794, SR-01000597576, Colchicine conformational isomer, 4lzr, Acetamide,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(.alpha.)heptalen-7-yl)-, Acetamide,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[.alpha.]heptalen-7-yl)-, MPC-004, N-((7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo(a)heptalen-7-yl)acetamide, N-((7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)- acetamide, CAS-64-86-8, Prestwick_695, COLCHICENOS, COLCIGEL, Colchicine (Standard), COLCHICINUM 4x, Spectrum_000842, Tocris-1364, 4o2b, COLCHICINE [MI], Prestwick0_000363, Prestwick1_000363, Prestwick2_000363, Prestwick3_000363, Spectrum2_000075, Spectrum3_000362, Spectrum4_000298, Spectrum5_000787, COLCHCINE [VANDF], COLCHICINE [HSDB], COLCHICINUM [HPUS], Colchicine (JP18/USP), UPCMLD-DP065, C 9754, SCHEMBL8469, Colchicine Tablets 0.5 mg, 7JX9WZ3SJ5, COLCHICINE [WHO-DD], COLCHICINE [WHO-IP], N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]acetamide, Lopac0_000310, BSPBio_000485, BSPBio_002083, KBioGR_000856, KBioSS_001322, Colchicine (contains 5% Ethyl Acetate at maximum), MLS001055448, MLS001304089, MLS002153786, DivK1c_000753, SPECTRUM1500205, SPBio_000289, SPBio_002406, COLCHICEINE METHYL ETHER, BPBio1_000535, GTPL2367, MEGxp0_001879, COLCHICINE [ORANGE BOOK], UPCMLD-DP065:001, ACon1_000353, HMS502F15, KBio1_000753, KBio2_001322, KBio2_003890, KBio2_006458, KBio3_001303, NINDS_000753, HMS1569I07, HMS1920A08, HMS2091G16, HMS2096I07, HMS2231C05, HMS3260N22, HMS3713I07, Pharmakon1600-01500205, COLCHICINUM [WHO-IP LATIN], Colchicine, >=96.0% (HPLC), Tox21_110947, Tox21_201547, Tox21_300582, Tox21_500310, BDBM50014846, CCG-39910, HY-16569R, NSC756702, NSC813203, s2284, AKOS001582887, Colchicine, >=95% (HPLC), powder, Tox21_110947_1, COLCHICINE COMPONENT OF MITIGARE, CS-1141, DB08117, FC11732, LP00310, NSC-756702, NSC-813203, SDCCGMLS-0066633.P001, SDCCGSBI-0050298.P006, COLCHICINE COMPONENT OF PROBEN-C, IDI1_000753, N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[.alpha.]heptalen-7-yl)-acetamide, COLCHICINE COMPONENT OF COLBENEMID, NCGC00025125-01, NCGC00025125-02, NCGC00025125-03, NCGC00025125-04, NCGC00025125-05, NCGC00025125-06, NCGC00025125-08, NCGC00025125-09, NCGC00025125-10, NCGC00025125-11, NCGC00025125-12, NCGC00025125-13, NCGC00025125-14, NCGC00025125-15, NCGC00025125-18, NCGC00025125-20, NCGC00025125-33, NCGC00169157-01, NCGC00169157-02, NCGC00169157-03, NCGC00254359-01, NCGC00259096-01, NCGC00260995-01, AS-13686, COL-PROBENECID COMPONENT COLCHICINE, HY-16569, NCI60_041659, SBI-0050298.P004, COLCHICINE IMPURITY B [EP IMPURITY], EU-0100310, MLS001055448-02, NS00002718, (-)-N-, C07592, D00570, M01514, binds to tubulin, inhibits microtubular assembly, SR-01000075794-1, SR-01000075794-3, SR-01000075794-6, SR-01000075794-7, SR-01000597576-1, SR-01000597576-3, BRD-K00259736-001-06-5, BRD-K00259736-001-10-7, BRD-K00259736-001-16-4, N-ACETYLTRIMETHYLCOLCHICINIC ACID METHYL ETHER, WLN: L B677 MV&T&J CO1 DO1 EO1 JMV1 NO1, N-ACETYL TRIMETHYLCOLCHICINIC ACID, METHYL ETHER, Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3,10-tetramethoxy-, Colchicine, (European Pharmacopoeia (EP) Reference Standard), Colchicine, United States Pharmacopeia (USP) Reference Standard, Colchicine, BioReagent, plant cell culture tested, >=95% (HPLC), N-((7S)-5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo, 7-Acetamido-6,7-dihydro-1,2,3,10-tetramethoxy-benzo(a)heptalen-9(5H)-one, Colchicine, Pharmaceutical Secondary Standard, Certified Reference Material, 7-ACETAMIDO-6,7-DIHYDRO-1,2,3,10-TETRAMETHOXYBENZO(A)HEPTALEN-9(5H)-ONE, Colchicine for system suitability, European Pharmacopoeia (EP) Reference Standard, N-((7S)-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo(a)heptalen-7-yl))acetamide, N-(5,6,7,9-TETRAHYDRO-1,2,3,10-TETRAMETHOXY-9-OXOBENZO(A)HEPTALEN-7-YL)-ACETAMIDE, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide, (1e)-N-[(7s)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl] ethanimidic acid, 200-598-5, ACETAMIDE, N-(5,6,7,9-TETRAHYDRO-1,2,3,10-TETRAMETHOXY-9-OXOBENZO(A)HEPTALEN-7-YL), N-((7S)-5,6,7,9-TETRAHYDRO-1,2,3,10-TETRAMETHOXY-9-OXOBENZ(A)HEPTALEN-7-YL)-ACETAMIDE, N-(5,6,7,9-TETRAHYDRO-1,2,3,10-TETRAMETHOXY-9-OXOBENZO(ALPHA)HEPTALEN-7-YL)-ACETAMIDE, N-[(7S,12aP)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 83.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCCC2C(CCCC3CCCCC32)C1 |
| Np Classifier Class | Phenethylisoquinoline alkaloids |
| Deep Smiles | COccOC))ccc-ccccc=O)cc7[C@H]CC%12))NC=O)C)))))))OC))))))c6OC |
| Heavy Atom Count | 29.0 |
| Classyfire Class | Tropones |
| Scaffold Graph Node Level | OC1CCCC2C(CCCC3CCCCC32)C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 740.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | Q862F3, P02550, Q6B856, n.a., Q9BUF5, P08684, P08183, P21447, P06795, P68370, Q72547, Q92887, O15245, P02545, P51151, P02791, P16473, P33261, P0A6C1, P15917, P00811, Q92793, P08482, P40225, P04637, P29466, Q6W5P4, P10635, O75496, P11712, P04062, Q96QE3, Q16236, O89049, Q96KQ7, O15648, P83916, P05177, P19793, P10828, Q96RI1, P04150, P39748, P10275, Q03181, P37231, P03372, P84022, P11473, O94782, P25094, O75751, Q9R1A7, P10145, P51449, O94956, Q9NPD5, Q9Y6L6, O42275, P81908, Q27957, Q9NUW8, P51843, O75874, Q06710, P10632, Q9NR56, P27695, Q13547, Q92769, O15379, P07437, O95342, O15438, O15439, P11309, P0DTD1, P05412 |
| Iupac Name | N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbon derivatives |
| Target Id | NPT483, NPT537, NPT210, NPT213, NPT1834, NPT96, NPT539, NPT277, NPT1416, NPT110, NPT109, NPT10, NPT212, NPT208, NPT1546, NPT1283, NPT713, NPT1265, NPT6402 |
| Xlogp | 1.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C22H25NO6 |
| Scaffold Graph Node Bond Level | O=c1cccc2c(c1)CCCc1ccccc1-2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IAKHMKGGTNLKSZ-INIZCTEOSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.3636363636363636 |
| Logs | -2.68 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.485 |
| Synonyms | colchicene, colchicine |
| Esol Class | Soluble |
| Functional Groups | CC(=O)NC, c=O, cOC |
| Compound Name | Colchicine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 399.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 399.168 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 399.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -1.2535707379310352 |
| Inchi | InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1 |
| Smiles | CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tyrosine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Ailanthus Altissima (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Arisaema Tortuosum (Plant) Rel Props:Reference:ISBN:9788172362140 - 3. Outgoing r'ship
FOUND_INto/from Artemisia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Centaurea Behen (Plant) Rel Props:Source_db:npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Colchicum Autumnale (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 6. Outgoing r'ship
FOUND_INto/from Colchicum Brachyphyllum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Colchicum Luteum (Plant) Rel Props:Reference:ISBN:9788172360481; ISBN:9788185042114; ISBN:9788185042138; ISBN:9788185042145 - 8. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Reference:ISBN:9788171360536 - 9. Outgoing r'ship
FOUND_INto/from Dalbergia Melanoxylon (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Delphinium Consolida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Gloriosa Superba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Iphigenia Indica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Ipomoea Alba (Plant) Rel Props:Source_db:npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Isodon Megathyrsus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Lilium Brownii (Plant) Rel Props:Source_db:npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Pinus Palustris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Pinus Roxburghii (Plant) Rel Props:Source_db:npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Polanisia Dodecandra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Saussurea Simpsoniana (Plant) Rel Props:Reference:ISBN:9788185042084 - 20. Outgoing r'ship
FOUND_INto/from Strychnos Spinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Tanacetum Parthenium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Veratrum Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all