Caracasandiamide
AlkaPlorer ID: AK291620
Synonym: None
IUPAC Name: 3,4-bis(3,4-dimethoxyphenyl)-1-N,2-N-bis[4-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]butyl]cyclobutane-1,2-dicarboxamide
Structure
SMILES: COC1=CC=C(C2C(C(=O)NCCCCNC(=N)NCC=C(C)C)C(C(=O)NCCCCNC(=N)NCC=C(C)C)C2C2=CC=C(OC)C(OC)=C2)C=C1OC
InChI: InChI=1S/C42H64N8O6/c1-27(2)17-23-49-41(43)47-21-11-9-19-45-39(51)37-35(29-13-15-31(53-5)33(25-29)55-7)36(30-14-16-32(54-6)34(26-30)56-8)38(37)40(52)46-20-10-12-22-48-42(44)50-24-18-28(3)4/h13-18,25-26,35-38H,9-12,19-24H2,1-8H3,(H,45,51)(H,46,52)(H3,43,47,49)(H3,44,48,50)
InChIKey: RFPXODBPOYUIKB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Verbesina caracasana | Verbesina | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 777.024
TPSA？: 190.94
MolLogP？: 4.787540000000007
Number of H-Donors: 8
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|