N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
PubChem CID: 2833
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| Compound Synonyms | (R/S)-Colchicine, Colchine, 209810-38-8, 54192-66-4, (+-)-COLCHICINE, (+/-)-Colchicine, N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide, CHEBI:23359, N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide, Acetamide,N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-, COLCHICINE, (+)-, N-[5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]acetamide, Colchicine?, (A+/-)-Colchicine, (S)-(-)-colchicine, CHEMBL87, Epitope ID:141498, Neuro_000002, MLS001181527, SCHEMBL675246, DTXSID20274387, DTXSID80859058, HMS2875H17, HMS3267B14, HMS3414L21, HMS3678L19, BCP09065, SYB65173, AC-281, BBL010108, CCG-46868, STK801462, AKOS003381878, AKOS016374434, AT27317, DB01394, FC20540, ( inverted exclamation markA)-Colchicine, NCGC00094629-01, NCGC00094629-02, NCGC00094629-03, NCGC00094629-04, NCGC00094629-05, NCGC00094629-06, NCGC00094629-08, AS-14691, SMR000567246, DB-054740, DB-230863, CS-0254169, NS00122142, EN300-111127, AB00830494-06, Q326224, SR-01000636539-1, BRD-A46684810-001-04-6, BRD-A46684810-001-12-9, Z1431321925, N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide #, N-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0,2,7]hexadeca-1(16),2,4,6,11,14-hexaen-10-yl}acetamide |
|---|---|
| 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;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P08684, P11712, P05181, P20813, P10632, P33527, P21439, P08183, O75751, P07437, Q9H4B7, Q03164, O75030, Q16236, Q92830, Q96QE3, O75496, Q9NUW8, Q06710, O75874, n.a., P63092 |
| Iupac Name | N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide |
| Prediction Hob | 1.0 |
| Class | Tropones |
| Target Id | NPT1038, NPT1282, NPT1283 |
| Xlogp | 1.0 |
| Superclass | Hydrocarbon derivatives |
| Molecular Formula | C22H25NO6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IAKHMKGGTNLKSZ-UHFFFAOYSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -3.013 |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Logd | 1.58 |
| Synonyms | Colchicin, Colchicina, Colchicinum |
| Compound Name | N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aromatic homopolycyclic compounds |
| 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) |
| Smiles | CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Tropones |
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FOUND_INto/from Scutellaria Indica (Plant) Rel Props:Reference: - 198. Outgoing r'ship
FOUND_INto/from Scutia Indica (Plant) Rel Props:Reference: - 199. Outgoing r'ship
FOUND_INto/from Shirakiopsis Indica (Plant) Rel Props:Reference: - 200. Outgoing r'ship
FOUND_INto/from Silene Indica (Plant) Rel Props:Reference: - 201. Outgoing r'ship
FOUND_INto/from Sinocrassula Indica (Plant) Rel Props:Reference: - 202. Outgoing r'ship
FOUND_INto/from Solanum Nigrum (Plant) Rel Props:Reference: - 203. Outgoing r'ship
FOUND_INto/from Stachytarpheta Indica (Plant) Rel Props:Reference: - 204. Outgoing r'ship
FOUND_INto/from Strychnos Minor (Plant) Rel Props:Reference: - 205. Outgoing r'ship
FOUND_INto/from Swertia Minor (Plant) Rel Props:Reference: - 206. Outgoing r'ship
FOUND_INto/from Tamarindus Indica (Plant) Rel Props:Reference: - 207. Outgoing r'ship
FOUND_INto/from Tamarix Indica (Plant) Rel Props:Reference: - 208. Outgoing r'ship
FOUND_INto/from Telosma Minor (Plant) Rel Props:Reference: - 209. Outgoing r'ship
FOUND_INto/from Tetracera Indica (Plant) Rel Props:Reference: - 210. Outgoing r'ship
FOUND_INto/from Triticum Sativum (Plant) Rel Props:Reference: - 211. Outgoing r'ship
FOUND_INto/from Tylophora Indica (Plant) Rel Props:Reference: - 212. Outgoing r'ship
FOUND_INto/from Ulex Minor (Plant) Rel Props:Reference: - 213. Outgoing r'ship
FOUND_INto/from Ungernia Minor (Plant) Rel Props:Reference: - 214. Outgoing r'ship
FOUND_INto/from Vateria Indica (Plant) Rel Props:Reference: - 215. Outgoing r'ship
FOUND_INto/from Veratrum Album (Plant) Rel Props:Reference: - 216. Outgoing r'ship
FOUND_INto/from Veratrum Californicum (Plant) Rel Props:Reference: - 217. Outgoing r'ship
FOUND_INto/from Veratrum Dahuricum (Plant) Rel Props:Reference: - 218. Outgoing r'ship
FOUND_INto/from Veratrum Eschscholtzii (Plant) Rel Props:Reference: - 219. Outgoing r'ship
FOUND_INto/from Veratrum Fimbriatum (Plant) Rel Props:Reference: - 220. Outgoing r'ship
FOUND_INto/from Veratrum Grandiflorum (Plant) Rel Props:Reference: - 221. Outgoing r'ship
FOUND_INto/from Veratrum Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 222. Outgoing r'ship
FOUND_INto/from Veratrum Sabadilla (Plant) Rel Props:Reference: - 223. Outgoing r'ship
FOUND_INto/from Veratrum Stenophyllum (Plant) Rel Props:Reference: - 224. Outgoing r'ship
FOUND_INto/from Veratrum Viride (Plant) Rel Props:Reference: - 225. Outgoing r'ship
FOUND_INto/from Vicoa Indica (Plant) Rel Props:Reference: - 226. Outgoing r'ship
FOUND_INto/from Vinca Minor (Plant) Rel Props:Reference: - 227. Outgoing r'ship
FOUND_INto/from Vitis Indica (Plant) Rel Props:Reference: - 228. Outgoing r'ship
FOUND_INto/from Waltheria Indica (Plant) Rel Props:Reference: - 229. Outgoing r'ship
FOUND_INto/from Wikstroemia Indica (Plant) Rel Props:Reference: - 230. Outgoing r'ship
FOUND_INto/from Xyris Indica (Plant) Rel Props:Reference: - 231. Outgoing r'ship
FOUND_INto/from Yucca Gloriosa (Plant) Rel Props:Reference: - 232. Outgoing r'ship
FOUND_INto/from Zanonia Indica (Plant) Rel Props:Reference: