Homaline
AlkaPlorer ID: AK300573
Synonym: 1,1'-(1,4-Butanediyl)bis[hexahydro-5-methyl-4-phenyl-1,5-diazocin-2(1H)-one]
IUPAC Name: 5-methyl-1-[4-(5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl)butyl]-4-phenyl-1,5-diazocan-2-one
Structure
SMILES: CN1CCCN(CCCCN2CCCN(C)C(C3=CC=CC=C3)CC2=O)C(=O)CC1C1=CC=CC=C1
InChI: InChI=1S/C30H42N4O2/c1-31-17-11-21-33(29(35)23-27(31)25-13-5-3-6-14-25)19-9-10-20-34-22-12-18-32(2)28(24-30(34)36)26-15-7-4-8-16-26/h3-8,13-16,27-28H,9-12,17-24H2,1-2H3
InChIKey: LNCIXDIFZNXBDP-UHFFFAOYSA-N
Reference
Gomaline — A New Indolenine Alkaloid from Catharanthus roseus
PubChem CID: 4485535
CAS: 20410-93-9
LOTUS: LTS0178497
COCONUT: CNP0291382.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Homalium | Salicaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 490.6920000000002
TPSA？: 47.1
MolLogP？: 4.357600000000003
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|