(R)-colchicine
PubChem CID: 53278
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| Compound Synonyms | (R)-colchicine, 75520-89-7, (+)-Colchicine, COLCHICINE, (+)-, N-[(7R)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide, CHEBI:51074, N-[(7R)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide, CAS-64-86-8, Acetamide, N-[(7R)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-, Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, (R)- (9CI), N-[(7R)-5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]acetamide, (+)-Colchicine, (R)-Colchicine, COLCHICINE natural, Lopac-C-9754, NCIMech_000874, Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (R)-, Oprea1_777295, CHEMBL330320, SCHEMBL15521905, DTXSID60226466, TNP00005, CCG-35801, CCG-36032, (R)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide, N-[(7R)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide, NCGC00015286-01, NCGC00016293-01, NCGC00017162-01, NCGC00017162-02, NCGC00142480-01, DB-221495, NS00068374, Q27122333 |
|---|---|
| Topological Polar Surface Area | 83.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 740.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | Q9BUF5, P02545, P16473, Q16665, P15917, P11712, Q99700, Q9NUW8 |
| Iupac Name | N-[(7R)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide |
| Prediction Hob | 1.0 |
| Target Id | NPT483, NPT210, NPT211, NPT212 |
| Xlogp | 1.0 |
| Molecular Formula | C22H25NO6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IAKHMKGGTNLKSZ-MRXNPFEDSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -2.909 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.572 |
| Compound Name | (R)-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 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| 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-/m1/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 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Melanoxylon (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Pinus Palustris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all