(2R)-N-[(2S)-1-[(1R,12R,13S,14R,15S)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2(10),3,8-triene-14-carbonyl]pyrrolidin-2-yl]-2-methylbutanamide
AlkaPlorer ID: AK027137
Synonym: None
IUPAC Name: (2R)-N-[(2S)-1-[(1R,12R,13S,14R,15S)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl]-2-methylbutanamide
Structure
SMILES: CC[C@@H](C)C(O)=N[C@@H]1CCCN1C(=O)[C@@H]1[C@@H](C2=CC=CC=C2)[C@]2(C3=CC=C(OC)C=C3)OC3=CC4=C(OCO4)C(OC)=C3[C@@]1(O)[C@@H]2O
InChI: InChI=1S/C36H40N2O9/c1-5-20(2)32(39)37-26-12-9-17-38(26)33(40)29-27(21-10-7-6-8-11-21)36(22-13-15-23(43-3)16-14-22)34(41)35(29,42)28-24(47-36)18-25-30(31(28)44-4)46-19-45-25/h6-8,10-11,13-16,18,20,26-27,29,34,41-42H,5,9,12,17,19H2,1-4H3,(H,37,39)/t20-,26+,27-,29+,34+,35+,36+/m1/s1
InChIKey: UJNLESIDKSDDSV-HLYZAGOMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aglaia edulis | Aglaia | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 644.7210000000002
TPSA？: 139.51000000000002
MolLogP？: 4.633600000000006
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|