Colchiceine
PubChem CID: 234105
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | COLCHICEINE, 477-27-0, O10-Demethylcolchicine, colchicein, N-Acetyl trimethylcolchicinic acid, NSC33411, NSC 33411, Coichiceine, O-Demethylcolchicine, Colchiceine (VAN), O(sup 10)-Demethylcolchicine, UNII-HJ30158L57, EINECS 207-512-5, NSC-33411, HJ30158L57, NSC 123396, NSC-123396, BRN 2824078, CHEMBL142588, DTXSID60878565, 4-14-00-00943 (Beilstein Handbook Reference), NSC123396, Benzo(a)heptalen-10(5H)-one, 7-acetamido-6,7-dihydro-9-hydroxy-1,2,3-trimethoxy-, Benzo(a)heptalen-9(5H)-one, 7-acetamido-6,7-dihydro-10-hydroxy-1,2,3-trimethoxy-, N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide, N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide, Acetamide, N-(5,6,7,9-tetrahydro-10-hydroxy-1,2,3-trimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-, ACETAMIDE, N-((7S)-5,6,7,9-TETRAHYDRO-10-HYDROXY-1,2,3-TRIMETHOXY-9-OXOBENZO(A)HEPTALEN-7-YL)-, N-((7S)-5,6,7,9-TETRAHYDRO-10-HYDROXY-1,2,3-TRIMETHOXY-9-OXOBENZO(A)HEPTALEN-7-YL)ACETAMIDE, 7-Acetamido-10-hydroxy-1,2,3-trimethoxy-6,7-dihydrobenzo(a)heptalen-9(5H)-one, WLN: L B677 MV&T&J CO1 DO1 EO1 JMV1 NQ, O10-Demethylcolchicine Solution in Acetonitrile, 100ug/mL, MFCD00598980, Benzo[a]heptalen-9(5H)-one,7-dihydro-10-hydroxy-1,2,3-trimethoxy-, 7-Acetamido-10-hydroxy-1,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one, Acetamide, N-(5,6,7,9-tetrahydro-10-hydroxy-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-, Acetamide,6,7,9-tetrahydro-10-hydroxy-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-, N-{(7s)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamide, Spectrum_000357, SpecPlus_000827, COLCHICEINE [MI], Spectrum2_000296, Spectrum3_001161, Spectrum4_000582, Spectrum5_001013, BSPBio_002741, KBioGR_001044, KBioSS_000837, MLS002472977, DivK1c_006923, SCHEMBL177858, SPECTRUM1800067, SPBio_000232, GTPL7525, KBio1_001867, KBio2_000837, KBio2_003405, KBio2_005973, KBio3_002241, CHEBI:183909, DTXCID101016609, HMS2205M17, N-[(7S,12aRa)-10-Hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide (Colchiceine), TNP00282, BDBM50157477, CCG-39854, AKOS004110611, FC20539, MS-2274, MSK160550-100A, SDCCGMLS-0066903.P001, N-((7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7-trihydrobenzo[d]heptalen-7-yl) acetamide, NCGC00017342-01, NCGC00017342-02, NCGC00017342-03, NCGC00142518-01, NCGC00178495-01, NCI60_002925, SMR001397084, 1ST160550-100A, COLCHICINE IMPURITY F [EP IMPURITY], HY-127166, NS00042473, Q27089242, 7-Acetamido-10-hydroxy-1,2,3-trimethoxy-6,7-dihydrobenzo(a)heptalen-9(5H)-one, (S)-, N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide, (s)-n-(10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide, 207-512-5, 2SJ, N-((S)-10-Hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide, N-(10-Hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide-, (S)-, N-[(7S)-5,6,7,9-Tetrahydro-10-hydroxy-1,2,3,-trimethoxy-9-oxobenzo[a]heptalen-7-yl]acetamide, O10-Demethylcolchicine, NSC 33411 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 94.1 |
| Hydrogen Bond Donor Count | 2.0 |
| 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)))))))O)))))c6OC |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Tropones |
| Scaffold Graph Node Level | OC1CCCC2C(CCCC3CCCCC32)C1 |
| Classyfire Subclass | Tropolones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 724.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbon derivatives |
| Xlogp | 1.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C21H23NO6 |
| Scaffold Graph Node Bond Level | O=c1cccc2c(c1)CCCc1ccccc1-2 |
| Inchi Key | PRGILOMAMBLWNG-HNNXBMFYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 2-acetyl-2-demethylcolchicine |
| Esol Class | Soluble |
| Functional Groups | CC(=O)NC, c=O, cO, cOC |
| Compound Name | Colchiceine |
| Exact Mass | 385.153 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 385.153 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 385.4 |
| 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 |
| Inchi | InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-8-16(24)17(25)10-14(13)15/h6,8-10,15H,5,7H2,1-4H3,(H,22,23)(H,24,25)/t15-/m0/s1 |
| Smiles | CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)O)OC)OC)OC |
| 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 Colchicum Autumnale (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279