N-methyl-N-[(10S,12S,16R)-3,5,14-trimethoxy-13-oxo-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[9.5.0.0²,⁷.0¹²,¹⁶]hexadeca-1(11),2(7),3,5,14-pentaen-10-yl]acetamide
AlkaPlorer ID: AK248737
Synonym: None
IUPAC Name: N-methyl-N-[(10S,12S,16R)-3,5,14-trimethoxy-13-oxo-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-tetracyclo[9.5.0.02,7.012,16]hexadeca-1(11),2,4,6,14-pentaenyl]acetamide
Structure
SMILES: COC1=C[C@H]2C3=C([C@H]2C1=O)[C@@H](N(C)C(C)=O)CCC1=C3C(OC)=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(OC)=C1
InChI: InChI=1S/C28H35NO11/c1-11(31)29(2)14-7-6-12-8-16(37-4)26(40-28-25(35)24(34)23(33)17(10-30)39-28)27(38-5)18(12)19-13-9-15(36-3)22(32)20(13)21(14)19/h8-9,13-14,17,20,23-25,28,30,33-35H,6-7,10H2,1-5H3/t13-,14-,17+,20-,23+,24-,25+,28-/m0/s1
InChIKey: USTNADWJYOCTQA-VSOSOMBCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Colchicum autumnale | Colchicum | Colchicaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 561.5840000000002
TPSA？: 164.45
MolLogP？: -0.2117999999999982
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|