(1R,12R,13S,14R,15S)-1-hydroxy-3-methoxy-12-(4-methoxyphenyl)-14-[(2S)-2-(2-methylpropanamido)pyrrolidine-1-carbonyl]-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2(10),3,8-trien-15-yl acetate
AlkaPlorer ID: AK052500
Synonym: None
IUPAC Name: [(1R,12R,13S,14R,15S)-1-hydroxy-3-methoxy-12-(4-methoxyphenyl)-14-[(2S)-2-(2-methylpropanoylamino)pyrrolidine-1-carbonyl]-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-trien-15-yl] acetate
Structure
SMILES: COC1=CC=C([C@]23OC4=CC5=C(OCO5)C(OC)=C4[C@](O)([C@H](C(=O)N4CCC[C@H]4N=C(O)C(C)C)[C@H]2C2=CC=CC=C2)[C@@H]3OC(C)=O)C=C1
InChI: InChI=1S/C37H40N2O10/c1-20(2)33(41)38-27-12-9-17-39(27)34(42)30-28(22-10-7-6-8-11-22)37(23-13-15-24(44-4)16-14-23)35(48-21(3)40)36(30,43)29-25(49-37)18-26-31(32(29)45-5)47-19-46-26/h6-8,10-11,13-16,18,20,27-28,30,35,43H,9,12,17,19H2,1-5H3,(H,38,41)/t27-,28+,30-,35-,36-,37-/m0/s1
InChIKey: UHVMWNGRKKYVIY-VCGIKDRKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aglaia edulis | Aglaia | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 672.7310000000003
TPSA？: 145.58
MolLogP？: 4.814300000000004
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|