granatoine
AlkaPlorer ID: AK050812
Synonym: '(+)-Xylogranatin F', 'Xylogranatin F'
IUPAC Name: (4R,8R,10S,18R,19R)-18-(furan-3-yl)-10-hydroxy-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: CC1(C)[C@H](O)C2=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]12
InChI: InChI=1S/C26H27NO6/c1-24(2)18-11-20(29)33-26(18,4)21-15(22(24)30)9-14-16-10-19(28)32-23(13-6-8-31-12-13)25(16,3)7-5-17(14)27-21/h6,8-10,12,18,22-23,30H,5,7,11H2,1-4H3/t18-,22-,23+,25-,26-/m1/s1
InChIKey: XKLARMZOADMPPA-BXFPRZKISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xylocarpus granatum | Xylocarpus | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 449.5030000000002
TPSA？: 98.86
MolLogP？: 4.160100000000004
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|