Molecule

Talarolide A

AlkaPlorer ID: AK107617

Synonym: None

IUPAC Name: (3R,6R,9R,12S,15R,18S)-9-[(2S)-butan-2-yl]-1-hydroxy-12-[(4-hydroxyphenyl)methyl]-4,6,13,15,16,18-hexamethyl-3-(2-methylpropyl)-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone

Structure

SMILES: CC[C@H](C)[C@H]1N=C(O)[C@H](CC2=CC=C(O)C=C2)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](C)N=C(O)CN(O)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)N=C1O

InChI: InChI=1S/C35H55N7O9/c1-11-20(4)29-31(46)37-22(6)33(48)41(10)27(16-19(2)3)35(50)42(51)18-28(44)36-21(5)32(47)39(8)23(7)34(49)40(9)26(30(45)38-29)17-24-12-14-25(43)15-13-24/h12-15,19-23,26-27,29,43,51H,11,16-18H2,1-10H3,(H,36,44)(H,37,46)(H,38,45)/t20-,21-,22+,23+,26-,27+,29+/m0/s1

InChIKey: MIULAJWYSPXXSE-VELXIEJISA-N

Reference

Talarolide A, a Cyclic Heptapeptide Hydroxamate from an Australian Marine Tunicate-Associated Fungus, <i>Talaromyces</i> sp. (CMB-TU011)

PubChem CID: 139591058

LOTUS: LTS0042327

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NPAtlas: NPA023832

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Talaromyces sp.	Talaromyces	Trichocomaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 717.865

TPSA？: 219.47

MolLogP？: 2.774300000000004

Number of H-Donors: 5

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi