[6-({19-ethenyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]henicosa-2(10),4,6,8,15-pentaen-18-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl acetate
AlkaPlorer ID: AK491828
Synonym: None
IUPAC Name: [(2R,3S,4S,5R,6S)-6-[[(1S,18S,19R,20S)-19-ethenyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-18-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Structure
SMILES: C=C[C@H]1[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CCC4=C(NC5=CC=CC=C45)[C@@H]3C[C@H]21
InChI: InChI=1S/C28H32N2O9/c1-3-14-17-10-20-22-16(15-6-4-5-7-19(15)29-22)8-9-30(20)26(35)18(17)11-37-27(14)39-28-25(34)24(33)23(32)21(38-28)12-36-13(2)31/h3-7,11,14,17,20-21,23-25,27-29,32-34H,1,8-10,12H2,2H3/t14-,17+,20+,21-,23-,24+,25-,27+,28+/m1/s1
InChIKey: POTTUEMLCCWGDD-PQZOUNHZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mostuea brunonis | Mostuea | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 540.5690000000003
TPSA？: 150.78000000000003
MolLogP？: 1.0433000000000006
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|