Molecule

Gypsetin

AlkaPlorer ID: AK021527

Synonym: None

IUPAC Name: (1S,4R,12S,14S,17S,25R)-12,25-dihydroxy-4,17-bis(2-methylbut-3-en-2-yl)-3,5,16,18-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-6,8,10,19,21,23-hexaene-2,15-dione

Structure

SMILES: C=CC(C)(C)[C@@]12NC3=CC=CC=C3[C@]1(O)C[C@H]1C(=O)N3[C@@H](C[C@]4(O)C5=CC=CC=C5N[C@]34C(C)(C)C=C)C(=O)N12

InChI: InChI=1S/C32H36N4O4/c1-7-27(3,4)31-29(39,19-13-9-11-15-21(19)33-31)17-23-26(38)36-24(25(37)35(23)31)18-30(40)20-14-10-12-16-22(20)34-32(30,36)28(5,6)8-2/h7-16,23-24,33-34,39-40H,1-2,17-18H2,3-6H3/t23-,24-,29-,30+,31+,32-/m0/s1

InChIKey: CXDDBHFLLPBKRS-OVYULKEKSA-N

Reference

Gypsetin, a new inhibitor of acyl-CoA: cholesterol acyltransferase produced by Nannizzia gypsea var. incurvata IFO 9228. I. Fermentation, isolation, physico-chemical properties and biological activity.

PubChem CID: 160406

CAS: 155114-38-8

LOTUS: LTS0010235

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NPAtlas: NPA015373

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Nannizzia gypsea	Nannizzia	Arthrodermataceae	Onygenales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 540.6640000000002

TPSA？: 105.14

MolLogP？: 3.645400000000002

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi