Molecule

Xylogranatin G

AlkaPlorer ID: AK091125

Synonym: '(+)-Xylogranatin G'

IUPAC Name: [(4S,8S,10R,18R,19R)-18-(furan-3-yl)-4,9,9,19-tetramethyl-6,16-dioxo-5,17-dioxa-2-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,11,14-tetraen-10-yl] acetate

Structure

SMILES: CC(=O)O[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/C28H29NO7/c1-14(30)34-25-17-10-16-18-11-21(31)35-24(15-7-9-33-13-15)27(18,4)8-6-19(16)29-23(17)28(5)20(26(25,2)3)12-22(32)36-28/h7,9-11,13,20,24-25H,6,8,12H2,1-5H3/t20-,24-,25-,27+,28-/m0/s1

InChIKey: HGFHCUWWDIJQON-DVORCMKRSA-N

Reference

Xylogranatins F–R: Antifeedants from the Chinese Mangrove, <i>Xylocarpus granatum</i>, A New Biogenetic Pathway to Tetranortriterpenoids

PubChem CID: 24786718

LOTUS: LTS0050006

SuperNatural Ⅲ: SN0124750-01

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Xylocarpus granatum	Xylocarpus	Meliaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 491.54000000000025

TPSA？: 104.93

MolLogP？: 4.7309000000000045

Number of H-Donors: 0

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi