Navigation

name Structure Reference Source Properties Activities Metabolism

(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2Z)-2-[(3S,6'R,7'S,8'aS)-6'-ethenyl-2-oxo-3',5',6',7',8',8'a-hexahydro-1H,2'H-spiro[indole-3,1'-indolizine]-7'-yl]-3-methoxyprop-2-enoate

AlkaPlorer ID: AK325289

Synonym: None

IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (Z)-2-[(3S,6'R,7'S,8'aS)-6'-ethenyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate

Structure

SMILES: C=C[C@H]1CN2CC[C@@]3(C(O)=NC4=CC=CC=C43)[C@@H]2C[C@@H]1/C(=C/OC)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

copy

InChI: InChI=1S/C27H34N2O9/c1-3-14-11-29-9-8-27(17-6-4-5-7-18(17)28-26(27)35)20(29)10-15(14)16(13-36-2)24(34)38-25-23(33)22(32)21(31)19(12-30)37-25/h3-7,13-15,19-23,25,30-33H,1,8-12H2,2H3,(H,28,35)/b16-13-/t14-,15-,19+,20-,21+,22-,23+,25-,27-/m0/s1

copy

InChIKey: BBUOHZFHYRHXQC-BPSJBMRHSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Uncaria rhynchophylla Uncaria Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 530.5740000000003

TPSA？: 161.51

MolLogP？: 0.2958000000000005

Number of H-Donors: 5

Number of H-Acceptors: 10

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A549 IC50 80000.0 nM 10.1021/acs.jnatprod.9b00490
Homo sapiens HepG2 IC50 80000.0 nM 10.1021/acs.jnatprod.9b00490
Homo sapiens MCF7 IC50 80000.0 nM 10.1021/acs.jnatprod.9b00490

Metabolism Information