hainangranatumin G
AlkaPlorer ID: AK102008
Synonym: None
IUPAC Name: (4S,8S,10R,18R,19R)-10-ethoxy-18-(furan-3-yl)-4,9,9,19-tetramethyl-5,17-dioxa-2-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,11,14-tetraene-6,16-dione
Structure
SMILES: CCO[C@H]1C2=CC3=C(CC[C@]4(C)C3=CC(=O)O[C@H]4C3=COC=C3)N=C2[C@@]2(C)OC(=O)C[C@H]2C1(C)C
InChI: InChI=1S/C28H31NO6/c1-6-33-25-17-11-16-18-12-21(30)34-24(15-8-10-32-14-15)27(18,4)9-7-19(16)29-23(17)28(5)20(26(25,2)3)13-22(31)35-28/h8,10-12,14,20,24-25H,6-7,9,13H2,1-5H3/t20-,24-,25-,27+,28-/m0/s1
InChIKey: NKRHJGPXAJBTJS-DVORCMKRSA-N
Reference
Limonoids from the Seeds of a Hainan Mangrove, <i>Xylocarpus granatum</i>
PubChem CID: 49832055
LOTUS: LTS0026693
SuperNatural Ⅲ: SN0248188-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xylocarpus granatum | Xylocarpus | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 477.5570000000003
TPSA？: 87.86000000000001
MolLogP？: 5.204300000000005
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|