Molecule

Crambescidin 816

AlkaPlorer ID: AK000476

Synonym: None

IUPAC Name: None

Structure

SMILES: CC[C@H]1CCCC[C@]2(O1)C[C@@H]3CC[C@]4(N3C(=N[C@]5([C@H]4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@H](CCN)O)CCC[C@H](O5)C)N2)O

InChI: InChI=1S/C45H82N6O7/c1-3-38-22-16-17-26-43(58-38)33-36-24-28-45(55)40(44(27-19-21-35(2)57-44)49-42(48-43)51(36)45)41(54)56-32-18-14-12-10-8-6-4-5-7-9-11-13-15-23-39(53)50(31-20-29-46)34-37(52)25-30-47/h35-38,40,52,55H,3-34,46-47H2,1-2H3,(H,48,49)/t35-,36+,37+,38+,40-,43+,44-,45+/m1/s1

InChIKey: DCKFXSZUWVWFEU-JECTWPLRSA-N

Reference

Polycyclic Guanidine Alkaloids from the Marine Sponge Crambe crambe and Ca<sup>++</sup> Channel Blocker Activity of Crambescidin 816

PubChem CID: 44576165

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Crambe crambe	Crambe (in: sponges)	Crambeidae	Poecilosclerida	Demospongiae	Porifera	Metazoa	Eukaryota

Properties Information

Molecule Weight: 819.1859999999999

TPSA？: 185.19999999999996

MolLogP？: 6.3610000000000095

Number of H-Donors: 5

Number of H-Acceptors: 12

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Mus musculus	L1210	Activity	98.0	%	10.1021/np50078a001