Molecule

Thaligosine

AlkaPlorer ID: AK022762

Synonym: None

IUPAC Name: (1S,14S)-6,20,21,25-tetramethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18(33),19,21,24,26,31-dodecaen-19-ol

Structure

SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)C[C@H]1C3=C(CCN1C)C(O)=C(OC)C(OC)=C3OC1=C(OC)C=C3CCN(C)[C@@H](C2)C3=C1

InChI: InChI=1S/C38H42N2O7/c1-39-15-13-24-20-31(43-4)33-21-27(24)28(39)18-23-9-12-30(42-3)32(19-23)46-25-10-7-22(8-11-25)17-29-34-26(14-16-40(29)2)35(41)37(44-5)38(45-6)36(34)47-33/h7-12,19-21,28-29,41H,13-18H2,1-6H3/t28-,29-/m0/s1

InChIKey: QAFGBLDGRLFICB-VMPREFPWSA-N

Reference

The Alkaloids of Thalictrum foliolosum

PubChem CID: 179390

CAS: 22226-72-8

LOTUS: LTS0118272

SuperNatural Ⅲ: SN0299877-03

NPASS: NPC116465

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Koenigia coriaria	Koenigia	Polygonaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cryptostegia madagascariensis	Cryptostegia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Copris tripartitus	Copris	Scarabaeidae	Coleoptera	Insecta	Arthropoda	Metazoa	Eukaryota
Coleonema pulchellum	Coleonema	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Tamarix chinensis	Tamarix	Tamaricaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 638.7610000000001

TPSA？: 82.09000000000002

MolLogP？: 6.868000000000009

Number of H-Donors: 1

Number of H-Acceptors: 9

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Candida albicans	Candida albicans	Activity	1000.0	ug ml-1	10.1021/np50007a014
Escherichia coli	Escherichia coli	Activity	nan	None	10.1021/np50007a014
Mycolicibacterium smegmatis	Mycolicibacterium smegmatis	Activity	100.0	ug ml-1	10.1021/np50007a014
Salmonella enterica subsp. enterica serovar Gallinarum	Salmonella enterica subsp. enterica serovar Gallinarum	Activity	nan	None	10.1021/np50007a014
Staphylococcus aureus	Staphylococcus aureus	Activity	100.0	ug ml-1	10.1021/np50007a014