Molecule

Ecteinascidin 722

AlkaPlorer ID: AK297281

Synonym: None

IUPAC Name: (5,12-dihydroxy-6-methoxy-7,21-dimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-22-yl) acetate

Structure

SMILES: COC1=C(C)C=C2CC3NC(C2=C1O)C1C2SCC4(NCCC5=C4NC4=CC=CC=C54)C(=O)OCC(C4=C5OCOC5=C(C)C(OC(C)=O)=C42)N1C3O

InChI: InChI=1S/C39H40N4O9S/c1-16-11-19-12-23-37(46)43-24-13-49-38(47)39(36-21(9-10-40-39)20-7-5-6-8-22(20)42-36)14-53-35(29(43)28(41-23)25(19)30(45)31(16)48-4)27-26(24)34-33(50-15-51-34)17(2)32(27)52-18(3)44/h5-8,11,23-24,28-29,35,37,40-42,45-46H,9-10,12-15H2,1-4H3

InChIKey: BHHQTFMAYOYXOX-UHFFFAOYSA-N

Reference

Selective cholinesterase inhibition by lanostane triterpenes from fruiting bodies of Ganoderma lucidum

Lanostane triterpenes from Ganoderma lucidum suppress the adipogenesis in 3T3-L1 cells through down-regulation of SREBP-1c

Lanostane Triterpenes from the Fruiting Bodies of <i>Ganoderma lucidum</i> and Their Inhibitory Effects on Adipocyte Differentiation in 3T3-L1 Cells

CAS: 144285-84-7

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ecteinascidia turbinata	Ecteinascidia	Perophoridae	Phlebobranchia	Ascidiacea	Chordata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 740.8350000000002

TPSA？: 163.84

MolLogP？: 3.838140000000003

Number of H-Donors: 5

Number of H-Acceptors: 13

RingCount: 11

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

Metabolism Information