Molecule

Clavatustide C

AlkaPlorer ID: AK093327

Synonym: None

IUPAC Name: (3S,6S,9S,12S,15S)-3,6-di(butan-2-yl)-9,12,15-tris(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone

Structure

SMILES: CCC(C)[C@@H]1N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](C(C)CC)N=C1O

InChI: InChI=1S/C30H55N5O5/c1-11-19(9)24-29(39)33-22(14-17(5)6)27(37)31-21(13-16(3)4)26(36)32-23(15-18(7)8)28(38)34-25(20(10)12-2)30(40)35-24/h16-25H,11-15H2,1-10H3,(H,31,37)(H,32,36)(H,33,39)(H,34,38)(H,35,40)/t19?,20?,21-,22-,23-,24-,25-/m0/s1

InChIKey: HRBCXMVTLBLCFB-GYTJMRQVSA-N

Reference

Zn-Driven Discovery of a Hydrothermal Vent Fungal Metabolite Clavatustide C, and an Experimental Study of the Anti-Cancer Mechanism of Clavatustide B

PubChem CID: 139588331

LOTUS: LTS0116899

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NPAtlas: NPA018764

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus clavatus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 565.8000000000002

TPSA？: 162.95000000000002

MolLogP？: 6.856000000000006

Number of H-Donors: 5

Number of H-Acceptors: 5

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi