Molecule

Ambiguine G Nitrile

AlkaPlorer ID: AK063954

Synonym: None

IUPAC Name: (12R,13R,15R)-13-chloro-12-ethenyl-8,8,12,19,19-pentamethyl-6-azapentacyclo[13.3.1.05,18.07,17.011,16]nonadeca-1(18),2,4,7(17),9,11(16)-hexaene-9-carbonitrile

Structure

SMILES: C=C[C@]1(C)C2=C3C4=C(NC5=CC=CC(=C45)C(C)(C)[C@H]3C[C@H]1Cl)C(C)(C)C(C#N)=C2

InChI: InChI=1S/C26H27ClN2/c1-7-26(6)17-11-14(13-28)24(2,3)23-22-20(17)16(12-19(26)27)25(4,5)15-9-8-10-18(29-23)21(15)22/h7-11,16,19,29H,1,12H2,2-6H3/t16-,19+,26+/m0/s1

InChIKey: HFHQOKOLRORURO-KGVVXCLESA-N

Reference

Isolation of a Nitrile-Containing Indole Alkaloid from the Terrestrial Blue-Green Alga <i>Hapalosiphon</i> <i>delicatulus</i>

PubChem CID: 10834980

LOTUS: LTS0186532

NPASS: NPC162799

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NPAtlas: NPA006411

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Fischerella ambigua	Fischerella	Hapalosiphonaceae	Nostocales	Cyanophyceae	Cyanobacteriota	None	Bacteria
Paraphaeosphaeria sporulosa	Paraphaeosphaeria	Didymosphaeriaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota
Artemisia chamaemelifolia	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hortia brasiliensis	Hortia	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aconitum toxicum	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hapalosiphon delicatulus	Hapalosiphon	Hapalosiphonaceae	Nostocales	Cyanophyceae	Cyanobacteriota	None	Bacteria
Hypericum annulatum	Hypericum	Hypericaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 402.96900000000016

TPSA？: 39.58

MolLogP？: 6.7734800000000055

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	53700.0	nM	10.1016/j.ejmech.2011.12.029