Molecule

Tiliageine

AlkaPlorer ID: AK003245

Synonym: None

IUPAC Name: (1R,14S)-6,20,25-trimethoxy-15,30-dimethyl-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaene-9,21-diol

Structure

SMILES: COC1=C2C=C3C(=C1)CCN(C)[C@@H]3CC1=CC=C(OC)C(=C1)C1=CC(=CC=C1O)C[C@H]1C3=C(C=C(OC)C(O)=C3O2)CCN1C

InChI: InChI=1S/C37H40N2O6/c1-38-12-10-23-18-32(43-4)33-20-25(23)28(38)16-22-7-9-31(42-3)27(15-22)26-14-21(6-8-30(26)40)17-29-35-24(11-13-39(29)2)19-34(44-5)36(41)37(35)45-33/h6-9,14-15,18-20,28-29,40-41H,10-13,16-17H2,1-5H3/t28-,29+/m1/s1

InChIKey: YZGZHFUKHPDLOJ-WDYNHAJCSA-N

Reference

Tilitriandrin, ein neues Bisbenzylisochinolin-Alkaloid aus<i>Tiliacora triandra</i>

PubChem CID: 76315750

LOTUS: LTS0042204

SuperNatural Ⅲ: SN0464285-02

NPASS: NPC275680

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Croptilon divaricatum	Croptilon	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Mephitis mephitis	Mephitis	Mephitidae	Carnivora	Mammalia	Chordata	Metazoa	Eukaryota
Caulerpa prolifera	Caulerpa	Caulerpaceae	Bryopsidales	Ulvophyceae	Chlorophyta	Viridiplantae	Eukaryota
Tabernaemontana divaricata	Tabernaemontana	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Taraxacum linearisquameum	Taraxacum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Guatteria boliviana	Guatteria	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Myxine glutinosa	Myxine	Myxinidae	Myxiniformes	Myxini	Chordata	Metazoa	Eukaryota
Euscaphis japonica	Euscaphis	Staphyleaceae	Crossosomatales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 608.7350000000001

TPSA？: 83.86000000000001

MolLogP？: 6.439700000000008

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Entamoeba histolytica	Entamoeba histolytica	IC50	19.21	ug.mL-1	10.1007/s00044-011-9767-1