Molecule

Paraherquamide B

AlkaPlorer ID: AK023485

Synonym: None

IUPAC Name: (1'S,7'S,8R,9'S)-4,4,10',10',13'-pentamethylspiro[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@@]23CCCN2C[C@@]12C[C@@]1(C(O)=NC4=C5OC=CC(C)(C)OC5=CC=C41)C(C)(C)[C@@H]2C3

InChI: InChI=1S/C27H33N3O4/c1-23(2)10-12-33-20-17(34-23)8-7-16-19(20)28-21(31)27(16)14-26-15-30-11-6-9-25(30,22(32)29(26)5)13-18(26)24(27,3)4/h7-8,10,12,18H,6,9,11,13-15H2,1-5H3,(H,28,31)/t18-,25-,26+,27+/m0/s1

InChIKey: JPDNNPOSGMWCHG-NNSXXJBVSA-N

Reference

Novel antinematodal and antiparasitic agents from Penicillium charlesii. II. Structure determination of paraherquamides B, C, D, E, F, and G.

PubChem CID: 11812622

LOTUS: LTS0010489

SuperNatural Ⅲ: SN0171478-03

NPASS: NPC71539

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: 463.57800000000026

TPSA？: 74.60000000000001

MolLogP？: 4.084700000000003

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Oncopeltus fasciatus	Oncopeltus fasciatus	LD50	16.54	ug	10.1021/jf0530998