Molecule

Ptilomycalin A

AlkaPlorer ID: AK311612

Synonym: None

IUPAC Name: None

Structure

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

InChI: InChI=1S/C45H80N6O5/c1-3-38-24-16-17-28-44(56-38)35-37-26-27-39-41(45(29-21-23-36(2)55-45)49-43(48-44)51(37)39)42(53)54-34-20-14-12-10-8-6-4-5-7-9-11-13-15-25-40(52)50(33-22-31-47)32-19-18-30-46/h16,24,36-39,41H,3-15,17-23,25-35,46-47H2,1-2H3,(H,48,49)

InChIKey: VTJKGZFFFMXPGP-UHFFFAOYSA-N

Reference

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

PubChem CID: 3481531

CAS: 124512-47-6

LOTUS: LTS0035747

COCONUT: CNP0146819.2

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ptilocaulis spiculifer	Ptilocaulis	Axinellidae	Axinellida	Demospongiae	Porifera	Metazoa	Eukaryota
None	Celerina	Ophidiasteridae	Valvatida	Asteroidea	Echinodermata	Metazoa	Eukaryota
None	Batzella	Chondropsidae	Poecilosclerida	Demospongiae	Porifera	Metazoa	Eukaryota
None	Hemimycale	Hymedesmiidae	Poecilosclerida	Demospongiae	Porifera	Metazoa	Eukaryota
None	Batzella	Chondropsidae	Poecilosclerida	Demospongiae	Porifera	Metazoa	Eukaryota

Properties Information

Molecule Weight: 785.1719999999998

TPSA？: 144.74

MolLogP？: 7.846200000000008

Number of H-Donors: 3

Number of H-Acceptors: 10

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi