melicodenine A
AlkaPlorer ID: AK177437
Synonym: None
IUPAC Name: (1R,2S,15R,16S)-5,14,14,20,28,28-hexamethyl-13,27-dioxa-5,20-diazaheptacyclo[14.10.2.01,18.02,15.03,12.06,11.021,26]octacosa-3(12),6,8,10,17,21,23,25-octaene-4,19-dione
Structure
SMILES: CN1C(=O)C2=C[C@H]3[C@@H]4[C@@H](C5=C(OC4(C)C)C4=CC=CC=C4N(C)C5=O)[C@@]2(OC3(C)C)C2=CC=CC=C21
InChI: InChI=1S/C30H30N2O4/c1-28(2)18-15-19-26(33)32(6)21-14-10-8-12-17(21)30(19,36-28)24-22-25(35-29(3,4)23(18)24)16-11-7-9-13-20(16)31(5)27(22)34/h7-15,18,23-24H,1-6H3/t18-,23+,24+,30+/m0/s1
InChIKey: XLBDXPCQJKIUQL-STUAPGLFSA-N
Reference
Melicodenines A and B, novel Diels–Alder type adducts isolated from Melicope denhamii
PubChem CID: 101782174
LOTUS: LTS0016259
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Melicope denhamii | Melicope | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 482.58000000000027
TPSA？: 60.77
MolLogP？: 4.646200000000004
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|