Molecule

VM55597

AlkaPlorer ID: AK057249

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]-4',9,14'-trione

Structure

SMILES: CN1C(=O)[C@]23C[C@H]4C(C)(C)[C@@]5(C[C@@]41CN2C(=O)C[C@@]3(C)O)C(O)=NC1=C2OC=CC(C)(C)OC2=CC=C15

InChI: InChI=1S/C28H33N3O6/c1-23(2)9-10-36-20-16(37-23)8-7-15-19(20)29-21(33)27(15)13-26-14-31-18(32)12-25(5,35)28(31,22(34)30(26)6)11-17(26)24(27,3)4/h7-10,17,35H,11-14H2,1-6H3,(H,29,33)/t17-,25+,26+,27+,28-/m0/s1

InChIKey: HHMKOJPJOSZYET-MGUBYGHDSA-N

Reference

Insecticidal Activity of Paraherquamides, Including Paraherquamide H and Paraherquamide I, Two New Alkaloids Isolated from <i>Penicillium cluniae</i>

PubChem CID: 14337025

LOTUS: LTS0113578

SuperNatural Ⅲ: SN0125748-01

NPASS: NPC74216

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NPAtlas: NPA017099

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
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: 507.5870000000003

TPSA？: 111.90000000000002

MolLogP？: 2.972200000000001

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Oncopeltus fasciatus	Oncopeltus fasciatus	LD50	0.91	ug	10.1021/jf0530998