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Grassypeptolides F

AlkaPlorer ID: AK011628

Synonym: None

IUPAC Name: (2R,5R,9R,12S,18S,21S,24R,25R,28R,31R,34R)-9,21,31-tribenzyl-2-ethyl-10,19,24,25,32-pentamethyl-18,28-di(propan-2-yl)-22-oxa-7,36-dithia-3,10,16,19,26,29,32,37,38-nonazatetracyclo[32.2.1.15,8.012,16]octatriaconta-1(37),8(38)-diene-4,11,17,20,23,27,30,33-octone

Structure

SMILES: CC[C@H]1N=C(O)[C@@H]2CSC(=N2)[C@@H](CC2=CC=CC=C2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC2=CC=CC=C2)OC(=O)[C@H](C)[C@@H](C)N=C(O)[C@@H](C(C)C)N=C(O)[C@@H](CC2=CC=CC=C2)N(C)C(=O)[C@@H]2CSC1=N2

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InChI: InChI=1S/C60H79N9O9S2/c1-11-42-54-64-44(34-79-54)56(73)66(8)46(30-39-22-15-12-16-23-39)52(71)65-49(35(2)3)53(72)61-38(7)37(6)60(77)78-48(32-41-26-19-14-20-27-41)58(75)68(10)50(36(4)5)59(76)69-29-21-28-45(69)57(74)67(9)47(31-40-24-17-13-18-25-40)55-63-43(33-80-55)51(70)62-42/h12-20,22-27,35-38,42-50H,11,21,28-34H2,1-10H3,(H,61,72)(H,62,70)(H,65,71)/t37-,38-,42-,43+,44+,45+,46-,47-,48+,49-,50+/m1/s1

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InChIKey: OMAHHNNQYKBGML-REKYTSBZSA-N

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Source

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

Properties Information

Molecule Weight: 1134.48

TPSA？: 230.03

MolLogP？: 7.493000000000011

Number of H-Donors: 3

Number of H-Acceptors: 13

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens HEK-293T Activity nan None 10.1021/np2005083
Homo sapiens Proto-oncogene c-JUN IC50 5200.0 nM 10.1021/np2005083

Metabolism Information