Molecule

C-3'-Methoxyrocaglamide

AlkaPlorer ID: AK048922

Synonym: "(-)-C-3'-Methoxyrocaglamide"

IUPAC Name: (1R,2R,3S,3aR,8bS)-3a-(3,4-dimethoxyphenyl)-1,8b-dihydroxy-6,8-dimethoxy-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide

Structure

SMILES: COC1=CC(OC)=C2C(=C1)O[C@@]1(C3=CC=C(OC)C(OC)=C3)[C@H](C3=CC=CC=C3)[C@@H](C(=O)N(C)C)[C@@H](O)[C@@]21O

InChI: InChI=1S/C30H33NO8/c1-31(2)28(33)24-25(17-10-8-7-9-11-17)30(18-12-13-20(36-4)21(14-18)37-5)29(34,27(24)32)26-22(38-6)15-19(35-3)16-23(26)39-30/h7-16,24-25,27,32,34H,1-6H3/t24-,25-,27-,29+,30+/m1/s1

InChIKey: SKYJJPBOOAAPMV-KKPOPCGDSA-N

Reference

An insecticidal rocaglamide derivatives and related compounds from Aglaia odorata (Meliaceae)

PubChem CID: 10650014

LOTUS: LTS0084397

SuperNatural Ⅲ: SN0348384-02

NPASS: NPC157445

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Alternaria japonica	Alternaria	Pleosporaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota
Cotula coronopifolia	Cotula	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Penicillium nordicum	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Penicillium lapatayae	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Dioscorea dumetorum	Dioscorea	Dioscoreaceae	Dioscoreales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 535.5930000000003

TPSA？: 106.92000000000002

MolLogP？: 3.059200000000001

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi