Molecule

Secamine; 16'-De(methoxycarbonyl), 15,15',20,20'-tetrahydro

AlkaPlorer ID: AK210928

Synonym: Decarbomethoxytetrahydrosecamine

IUPAC Name: methyl 10-[2-(3-ethylpiperidin-1-yl)ethyl]-6-[3-[2-(3-ethylpiperidin-1-yl)ethyl]-1H-indol-2-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylate

Structure

SMILES: CCC1CCCN(CCC2=C(C3CCC(C(=O)OC)C4=C(CCN5CCCC(CC)C5)C5=CC=CC=C5N43)NC3=CC=CC=C23)C1

InChI: InChI=1S/C40H54N4O2/c1-4-28-12-10-22-42(26-28)24-20-32-30-14-6-8-16-35(30)41-38(32)37-19-18-34(40(45)46-3)39-33(31-15-7-9-17-36(31)44(37)39)21-25-43-23-11-13-29(5-2)27-43/h6-9,14-17,28-29,34,37,41H,4-5,10-13,18-27H2,1-3H3

InChIKey: FAUOBMIFPGSQCA-UHFFFAOYSA-N

Reference

PubChem CID: 14108928

COCONUT: CNP0275267

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 tabernaemontana	Amsonia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aspidosperma marcgravianum	Aspidosperma	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 622.8980000000003

TPSA？: 53.5

MolLogP？: 8.091400000000009

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi