Molecule

None

AlkaPlorer ID: AK318394

Synonym: None

IUPAC Name: [(2S,3R,4R,7S)-4-ethenyl-4,8,8-trimethyl-15-(2-methylbut-3-en-2-yl)-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),9(16),10,12-tetraen-3-yl]-methylidyneazanium

Structure

SMILES: C#[N+][C@@H]1[C@@H]2C3=C(C(C)(C)C=C)NC4=CC=CC(=C34)C(C)(C)[C@H]2CC[C@]1(C)C=C

InChI: InChI=1S/C26H33N2/c1-9-24(3,4)22-21-19-16(12-11-13-18(19)28-22)25(5,6)17-14-15-26(7,10-2)23(27-8)20(17)21/h8-13,17,20,23,28H,1-2,14-15H2,3-7H3/q+1/t17-,20-,23+,26-/m0/s1

InChIKey: KQWAKTWJWYLNME-CSOFANMDSA-N

Reference

PubChem CID: 171037387

NPASS: NPC11423

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: 373.56400000000025

TPSA？: 20.15

MolLogP？: 6.939900000000007

Number of H-Donors: 1

Number of H-Acceptors: 0

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT001302	C#[N+][C@@H]1[C@@H]2c3c(C(C)(C)C=C)[nH]c4cccc(c34)C(C)(C)[C@H]2CC[C@]1(C)C=C>>C#[N+][C@@H]1[C@@H]2c3c(C(C)(C)C=C)[nH]c4cccc(c34)C(C)(C)[C@H]2C[C@@H](Cl)[C@]1(C)C=C	MNXR186306
AKRT001303	C#[N+][C@@H]1[C@@H]2c3c(C(C)(C)C=C)[nH]c4cccc(c34)C(C)(C)[C@H]2CC[C@]1(C)C=C>>C#[N+][C@@H]1[C@@H]2c3c[nH]c4cccc(c34)C(C)(C)[C@H]2CC[C@]1(C)C=C	MNXR185912
AKRT001304	C#[N+][C@@H]1[C@@H]2c3c(C(C)(C)C=C)[nH]c4cccc(c34)C(C)(C)[C@H]2CC[C@]1(C)C=C>>CC(C)=CCOP(=O)(O)OP(=O)(O)O	MNXR185912