Molecule

Peniciherquamide B

AlkaPlorer ID: AK103228

Synonym: None

IUPAC Name: (1'S,3R,6'R,7'R,9'S)-6'-hydroxy-14'-methoxy-6',7,7,10',10'-pentamethylspiro[1,8-dihydropyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradec-13-ene]-2,9-dione

Structure

SMILES: COC1=N[C@]23CN4CC[C@@](C)(O)[C@]14C[C@H]2C(C)(C)[C@@]1(C3)C(O)=NC2=C1C=CC1=C2C(=O)CC(C)(C)O1

InChI: InChI=1S/C28H35N3O5/c1-23(2)11-16(32)19-17(36-23)8-7-15-20(19)29-21(33)27(15)13-26-14-31-10-9-25(5,34)28(31,22(30-26)35-6)12-18(26)24(27,3)4/h7-8,18,34H,9-14H2,1-6H3,(H,29,33)/t18-,25+,26+,27+,28-/m0/s1

InChIKey: APFAPJLFMNNAGZ-ITKQZBBDSA-N

Reference

Anti-hepatitis C Virus Natural Product from a Fungus, <i>Penicillium herquei</i>

PubChem CID: 127047979

LOTUS: LTS0084956

NPASS: NPC484465

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NPAtlas: NPA021862

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Penicillium herquei	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 493.6040000000004

TPSA？: 103.95

MolLogP？: 3.7124000000000015

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Hepacivirus hominis	Hepatitis C virus	IC50	40000.0	nM	10.1021/acs.jnatprod.5b00555