Molecule

Daphnicyclidine D; N,4-Dehydro

AlkaPlorer ID: AK294313

Synonym: Daphnicyclidine E

IUPAC Name: methyl 2,6-dimethyl-21-oxo-14-oxa-8-azoniahexacyclo[11.6.1.15,19.02,10.03,8.017,20]henicosa-1(19),3(8),13(20),17-tetraene-18-carboxylate

Structure

SMILES: COC(=O)C1=C2CCOC3=C2C2=C1C(=O)C1CC4=[N+](CC1C)CC(CC3)C24C

InChI: InChI=1S/C23H26NO4/c1-11-9-24-10-12-4-5-15-17-13(6-7-28-15)18(22(26)27-3)19-20(17)23(12,2)16(24)8-14(11)21(19)25/h11-12,14H,4-10H2,1-3H3/q+1

InChIKey: GHAJOEJNOSUFBO-UHFFFAOYSA-N

Reference

Cytotoxic Bastadin 24 from the Australian Sponge Ianthella quadrangulata

Additional Insights on the Bastadins: Isolation of Analogues from the Sponge Ianthella cf. reticulata and Exploration of the Oxime Configurations

Trimeric Hemibastadin Congener from the Marine Sponge Ianthella basta

CAS: 385384-25-8

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Daphniphyllum	Daphniphyllaceae	Saxifragales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Daphniphyllum	Daphniphyllaceae	Saxifragales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 380.4640000000002

TPSA？: 55.61

MolLogP？: 2.5627000000000004

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi