Molecule

1-methyl-3,13,21,23-tetraazahexacyclo[10.10.2.0²,¹?.0?,?.0¹³,²².0¹?,²?]tetracosa-2(10),4,6,8,15,17,19,21-octaene-14,24-dione

AlkaPlorer ID: AK108932

Synonym: None

IUPAC Name: (1R,12R)-1-methyl-3,13,21,23-tetrazahexacyclo[10.10.2.02,10.04,9.013,22.015,20]tetracosa-2(10),4,6,8,15,17,19,21-octaene-14,24-dione

Structure

SMILES: C[C@@]12N=C(O)[C@@H](CC3=C1NC1=CC=CC=C31)N1C2=NC2=CC=CC=C2C1=O

InChI: InChI=1S/C21H16N4O2/c1-21-17-13(11-6-2-4-8-14(11)22-17)10-16(18(26)24-21)25-19(27)12-7-3-5-9-15(12)23-20(21)25/h2-9,16,22H,10H2,1H3,(H,24,26)/t16-,21-/m1/s1

InChIKey: JLBVVGKVADHTHK-IIBYNOLFSA-N

Reference

Three New Compounds from Aspergillus terreus PT06-2 Grown in a High Salt Medium

PubChem CID: 162866088

LOTUS: LTS0180474

NPASS: NPC139031

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Dendroctonus brevicomis	Dendroctonus	Curculionidae	Coleoptera	Insecta	Arthropoda	Metazoa	Eukaryota
Madhuca utilis	Madhuca	Sapotaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hypoxis filiformis	Hypoxis	Hypoxidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Glycosmis parviflora	Glycosmis	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Carex folliculata	Carex	Cyperaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Piper lolot	Piper	Piperaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dictyostelium brefeldianum	Dictyostelium	Dictyosteliaceae	Dictyosteliales	Eumycetozoa	Evosea	None	Eukaryota
Pimelea simplex	Pimelea	Thymelaeaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cosmos bipinnatus	Cosmos	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 356.3850000000001

TPSA？: 83.27000000000001

MolLogP？: 3.208600000000001

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi