N-[(10S,12R,16S)-3,4,5,14-tetramethoxy-13-oxotetracyclo[9.5.0.0²,⁷.0¹²,¹⁶]hexadeca-1(11),2(7),3,5,14-pentaen-10-yl]formamide
AlkaPlorer ID: AK102674
Synonym: None
IUPAC Name: N-[(10S,12R,16S)-3,4,5,14-tetramethoxy-13-oxo-10-tetracyclo[9.5.0.02,7.012,16]hexadeca-1(11),2,4,6,14-pentaenyl]formamide
Structure
SMILES: COC1=C[C@@H]2C3=C([C@@H]2C1=O)[C@@H](NC=O)CCC1=C3C(OC)=C(OC)C(OC)=C1
InChI: InChI=1S/C21H23NO6/c1-25-13-8-11-16-15-10(7-14(26-2)20(27-3)21(15)28-4)5-6-12(22-9-23)18(16)17(11)19(13)24/h7-9,11-12,17H,5-6H2,1-4H3,(H,22,23)/t11-,12+,17-/m1/s1
InChIKey: FJZDQQBCWBPSFW-BWACUDIHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alangium villosum | Alangium | Cornaceae | Cornales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Gloriosa superba | Gloriosa | Colchicaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 385.41600000000017
TPSA？: 83.09
MolLogP？: 1.8858
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Activity | None | None | 10.1021/acs.jnatprod.9b00880 |