Molecule

Ambiguine Q nitrile

AlkaPlorer ID: AK050800

Synonym: None

IUPAC Name: (12R,15R)-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)CC[C@H]2C3=C1C=C(C#N)C(C)(C)C1=C3C3=C(C=CC=C3N1)C2(C)C

InChI: InChI=1S/C26H28N2/c1-7-26(6)12-11-17-20-18(26)13-15(14-27)24(2,3)23-22(20)21-16(25(17,4)5)9-8-10-19(21)28-23/h7-10,13,17,28H,1,11-12H2,2-6H3/t17-,26-/m0/s1

InChIKey: WBJRBYKJNBYZBT-QLXKLKPCSA-N

Reference

PubChem CID: 102263593

NPASS: NPC82433

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NPAtlas: NPA003242

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
Hypericum annulatum	Hypericum	Hypericaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 368.52400000000006

TPSA？: 39.58

MolLogP？: 6.556180000000007

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi