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Patellamide G

AlkaPlorer ID: AK000773

Synonym: None

IUPAC Name: (4S,7R,8S,11R,18S,21S,24R)-11-benzyl-18-[(2S)-butan-2-yl]-21-[(1S)-1-hydroxyethyl]-7,24-dimethyl-4-(2-methylpropyl)-6-oxa-13,26-dithia-3,10,17,20,23,28,29,30-octazatetracyclo[23.2.1.15,8.112,15]triaconta-1(27),5(30),12(29),14,25(28)-pentaene-2,9,16,19,22-pentone

Structure

SMILES: CC[C@H](C)[C@@H]1NC(=O)C2=CSC(=N2)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H]2N=C(O[C@@H]2C)[C@H](CC(C)C)NC(=O)C2=CSC(=N2)[C@@H](C)NC(=O)[C@H]([C@H](C)O)NC1=O

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InChI: InChI=1S/C38H50N8O7S2/c1-8-19(4)28-33(50)45-29(21(6)47)34(51)39-20(5)37-42-26(16-54-37)31(48)40-24(14-18(2)3)36-46-30(22(7)53-36)35(52)41-25(15-23-12-10-9-11-13-23)38-43-27(17-55-38)32(49)44-28/h9-13,16-22,24-25,28-30,47H,8,14-15H2,1-7H3,(H,39,51)(H,40,48)(H,41,52)(H,44,49)(H,45,50)/t19-,20+,21-,22+,24-,25+,28-,29-,30-/m0/s1

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InChIKey: VLOXUMQANREDRL-GDCGDAOHSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Lissoclinum patella Lissoclinum Didemnidae Aplousobranchia Ascidiacea Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 795.0010000000001

TPSA？: 213.1

MolLogP？: 3.231000000000003

Number of H-Donors: 6

Number of H-Acceptors: 12

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
None NON-PROTEIN TARGET IC50 60.0 nM 10.1021/np9802872

Metabolism Information