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Largamide B

AlkaPlorer ID: AK077444

Synonym: '(-)-Largamide B'

IUPAC Name: 3-[(3S,6R,9Z,12S,15S,16R)-9-ethylidene-15-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[[(E)-2-methylbut-2-enoyl]amino]butanoyl]amino]propanoyl]amino]-3-[3-(4-hydroxyphenyl)propyl]-12,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-6-yl]propanoic acid

Structure

SMILES: C/C=C1\N=C(O)[C@H](C)N=C(O)[C@@H](N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H](N=C(O)/C(C)=C/C)C(C)C)[C@@H](C)OC(=O)[C@H](CCCC2=CC=C(O)C=C2)N=C(O)[C@@H](CCC(=O)O)N=C1O

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InChI: InChI=1S/C46H61N7O13/c1-8-25(5)39(58)52-37(24(3)4)44(63)51-35(23-29-15-19-31(55)20-16-29)43(62)53-38-27(7)66-46(65)34(12-10-11-28-13-17-30(54)18-14-28)50-42(61)33(21-22-36(56)57)49-41(60)32(9-2)48-40(59)26(6)47-45(38)64/h8-9,13-20,24,26-27,33-35,37-38,54-55H,10-12,21-23H2,1-7H3,(H,47,64)(H,48,59)(H,49,60)(H,50,61)(H,51,63)(H,52,58)(H,53,62)(H,56,57)/b25-8+,32-9-/t26-,27+,33+,34-,35-,37-,38-/m0/s1

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InChIKey: UEOZXYXDYDODOQ-LWSXGMMVSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Lyngbya confervoides Lyngbya Oscillatoriaceae Oscillatoriales Cyanophyceae Cyanobacteriota None Bacteria

Properties Information

Molecule Weight: 920.03

TPSA？: 332.19

MolLogP？: 6.926300000000008

Number of H-Donors: 10

Number of H-Acceptors: 12

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens NAD-dependent protein deacylase sirtuin-5, mitochondrial AC50 12620.0 nM None
Homo sapiens Parathyroid hormone receptor Potency 141253.8 nM None
None Unchecked Potency 22387.2 nM None

Metabolism Information