Aglain B
AlkaPlorer ID: AK202776
Synonym: '(+)-Aglain B'
IUPAC Name: (2R)-N-[(2S)-1-[(1R,9R,10S,11R,12S)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-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=CC(OC)=CC(OC)=C3[C@@]1(O)[C@@H]2O
InChI: InChI=1S/C36H42N2O8/c1-6-21(2)32(39)37-28-13-10-18-38(28)33(40)31-29(22-11-8-7-9-12-22)36(23-14-16-24(43-3)17-15-23)34(41)35(31,42)30-26(45-5)19-25(44-4)20-27(30)46-36/h7-9,11-12,14-17,19-21,28-29,31,34,41-42H,6,10,13,18H2,1-5H3,(H,37,39)/t21-,28+,29-,31+,34+,35+,36+/m1/s1
InChIKey: KPCVKSYNYMIDEN-DZERSTNUSA-N
Reference
New nitrogenous and aromatic derivatives from Aglaia argentea and A. forbesii
PubChem CID: 124708178
LOTUS: LTS0257301
SuperNatural Ⅲ: SN0191622-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aglaia argentea | Aglaia | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 630.7380000000003
TPSA？: 130.28000000000003
MolLogP？: 4.913500000000007
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|