Molecule

1-[[(3aS,4R,5S,6aR)-1-cyclohexyl-5-methyl-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]-3-(3-methoxyphenyl)urea

AlkaPlorer ID: AK400550

Synonym: None

IUPAC Name: 1-[[(3aS,4R,5S,6aR)-1-cyclohexyl-5-methyl-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]-3-(3-methoxyphenyl)urea

Structure

SMILES: COC1=CC=CC(NC(=O)NC[C@H]2[C@@H]3CC(=O)N(C4CCCCC4)[C@@H]3C[C@@H]2C)=C1

InChI: InChI=1S/C23H33N3O3/c1-15-11-21-19(13-22(27)26(21)17-8-4-3-5-9-17)20(15)14-24-23(28)25-16-7-6-10-18(12-16)29-2/h6-7,10,12,15,17,19-21H,3-5,8-9,11,13-14H2,1-2H3,(H2,24,25,28)/t15-,19-,20+,21+/m0/s1

InChIKey: HLCIGHKOIGZRKP-JWOSDPRPSA-N

Reference

New Macrocyclic Spermine (Budmunchiamine) Alkaloids from<i>Albizia gummifera</i>: With Some Observations on the Structure−Activity Relationships of the Budmunchiamines

PubChem CID: 145873045

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 399.53500000000025

TPSA？: 70.67

MolLogP？: 4.022500000000004

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi