gamma-Lumicolchicine
PubChem CID: 110937
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| Compound Synonyms | gamma-Lumicolchicine, Lumicolchicine, 6901-14-0, EINECS 230-009-7, beta-Lumicolchicine, N-(3,4,5,14-tetramethoxy-13-oxo-10-tetracyclo[9.5.0.02,7.012,16]hexadeca-1(11),2,4,6,14-pentaenyl)acetamide, 490-24-4, Lumicolchicines, gamma Lumicolchicine, N-(3,4,5,14-tetramethoxy-13-oxo-10-tetracyclo(9.5.0.02,7.012,16)hexadeca-1(11),2,4,6,14-pentaenyl)acetamide, n-(1,2,3,9-tetramethoxy-8-oxo-5,6,7,7b,8,10a-hexahydrobenzo[a]cyclopenta[3,4]cyclobuta[1,2-c][7]annulen-7-yl)acetamide, (c)micro-Lumi (-)-Colchicine, HMS3372H05, BCP22727, GAA90114, NSC221661, STL453199, NSC-221661, (7S-(7alpha,7balpha,10aalpha))-N-(5,6,7,7b,8,10a-Hexahydro-1,2,3,9-tetramethoxy-8-oxobenzo(a)cyclopenta(3,4)cyclobuta(1,2-c)cyclohepten-7-yl)acetamide, DB-055215, (c)micro-Lumicolchicine pound>>Lumicolchicine pound>>gamma-Lumicolchicine, N-(1,2,3,9-Tetramethoxy-8-oxo-5,6,7,7b,8,10a-hexahydrobenzo[a]cyclopenta[3,4]cyclobuta[1,2-c]cyclohepten-7-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 | 758.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(3,4,5,14-tetramethoxy-13-oxo-10-tetracyclo[9.5.0.02,7.012,16]hexadeca-1(11),2,4,6,14-pentaenyl)acetamide |
| Prediction Hob | 1.0 |
| Class | Lumicolchicine alkaloids |
| Xlogp | 1.3 |
| Superclass | Alkaloids and derivatives |
| Molecular Formula | C22H25NO6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VKPVZFOUXUQJMW-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Rotatable Bond Count | 5.0 |
| Synonyms | N-{3,4,5,14-tetramethoxy-13-oxotetracyclo[9.5.0.0,.0,]hexadeca-1(11),2,4,6,14-pentaen-10-yl}ethanimidate, beta Lumicolchicine, beta-Lumicolchicine, gamma-Lumicolchicine, Lumicolchicines, gamma Lumicolchicine, Lumicolchicine |
| Compound Name | gamma-Lumicolchicine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Esol | -2.886350048275863 |
| Inchi | InChI=1S/C22H25NO6/c1-10(24)23-13-7-6-11-8-15(27-3)21(28-4)22(29-5)16(11)17-12-9-14(26-2)20(25)18(12)19(13)17/h8-9,12-13,18H,6-7H2,1-5H3,(H,23,24) |
| Smiles | CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C4C3C=C(C4=O)OC)OC)OC)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Lumicolchicine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Iphigenia Indica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all