Molecule

Ptilomycalin A; 36R-Hydroxy

AlkaPlorer ID: AK311614

Synonym: Celeromycalin

IUPAC Name: None

Structure

SMILES: CCC1C=CCCC2(CC3CCC4C(C(=O)OCCCCCCCCCCCCCC(O)CC(=O)N(CCCN)CCCCN)C5(CCCC(C)O5)NC(=N2)N34)O1

InChI: InChI=1S/C45H80N6O6/c1-3-38-23-14-15-26-44(57-38)34-36-24-25-39-41(45(27-19-21-35(2)56-45)49-43(48-44)51(36)39)42(54)55-32-18-12-10-8-6-4-5-7-9-11-13-22-37(52)33-40(53)50(31-20-29-47)30-17-16-28-46/h14,23,35-39,41,52H,3-13,15-22,24-34,46-47H2,1-2H3,(H,48,49)

InChIKey: UBYMWGAADWDQPX-UHFFFAOYSA-N

Reference

Ptilomycalin A, crambescidin 800 and related new highly cytotoxic guanidine alkaloids from the starfishes Fromia monilis and Celerina heffernani

PubChem CID: 85091718

LOTUS: LTS0226913

COCONUT: CNP0291327.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Celerina	Ophidiasteridae	Valvatida	Asteroidea	Echinodermata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 801.1709999999996

TPSA？: 164.97

MolLogP？: 6.817000000000007

Number of H-Donors: 4

Number of H-Acceptors: 11

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi