Molecule

Secamine; 15,15',20,20'-Tetrahydro

AlkaPlorer ID: AK270288

Synonym: Tetrahydrosecamine

IUPAC Name: dimethyl 10-[2-(3-ethylpiperidin-1-yl)ethyl]-6-[3-[2-(3-ethylpiperidin-1-yl)ethyl]-1H-indol-2-yl]-8,9-dihydro-7H-pyrido[1,2-a]indole-6,9-dicarboxylate

Structure

SMILES: CCC1CCCN(CCC2=C(C3(C(=O)OC)CCC(C(=O)OC)C4=C(CCN5CCCC(CC)C5)C5=CC=CC=C5N43)NC3=CC=CC=C23)C1

InChI: InChI=1S/C42H56N4O4/c1-5-29-13-11-23-44(27-29)25-20-33-32-16-8-10-18-37(32)46-38(33)35(40(47)49-3)19-22-42(46,41(48)50-4)39-34(31-15-7-9-17-36(31)43-39)21-26-45-24-12-14-30(6-2)28-45/h7-10,15-18,29-30,35,43H,5-6,11-14,19-28H2,1-4H3

InChIKey: HWBGBIQGALATDY-UHFFFAOYSA-N

Reference

PubChem CID: 169527

CAS: 33633-19-1

COCONUT: CNP0377830

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Rhazya stricta	Rhazya	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aspidosperma excelsum	Aspidosperma	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Amsonia elliptica	Amsonia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Amsonia tabernaemontana	Amsonia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Rhazya	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aspidosperma marcgravianum	Aspidosperma	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 680.9340000000003

TPSA？: 79.80000000000001

MolLogP？: 7.418600000000008

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi