Molecule

Paraherquamide

AlkaPlorer ID: AK033147

Synonym: None

IUPAC Name: (1'S,6'R,7'R,8R,9'S)-6'-hydroxy-4,4,6',10',10',13'-hexamethylspiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-9,14'-dione

Structure

SMILES: CN1C(=O)[C@]23C[C@H]4C(C)(C)[C@@]5(C[C@@]41CN2CC[C@@]3(C)O)C(O)=NC1=C2OC=CC(C)(C)OC2=CC=C15

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

InChIKey: UVZZDDLIOJPDKX-ITKQZBBDSA-N

Reference

The structure of paraherquamide, a toxic metabolite from

PubChem CID: 156934

CAS: 77392-58-6

LOTUS: LTS0080559

SuperNatural Ⅲ: SN0381627-05

NPASS: NPC84130

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NPAtlas: NPA003590

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Penicillium paraherquei	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Uvaria tanzaniae	Uvaria	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Amansia glomerata	Amansia	Rhodomelaceae	Ceramiales	Florideophyceae	Rhodophyta	None	Eukaryota
Turbo stenogyrus	Turbo	Turbinidae	Trochida	Gastropoda	Mollusca	Metazoa	Eukaryota
Senecio serra	Senecio	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Entada abyssinica	Entada	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 493.6040000000002

TPSA？: 94.83

MolLogP？: 3.4456000000000016

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi