Molecule

3-chloro-4-ethenyl-4,9,9,20,20-pentamethyl-5-(methylideneamino)-7-oxa-11-azahexacyclo[14.3.1.0?,¹?.0?,?.0¹?,¹?.0¹²,¹?]icosa-10(18),12(17),13,15-tetraen-19-ol

AlkaPlorer ID: AK318627

Synonym: None

IUPAC Name: (1R,3R,4R,5R,6R,8S,19R)-3-chloro-4-ethenyl-4,9,9,20,20-pentamethyl-5-(methylideneamino)-7-oxa-11-azahexacyclo[14.3.1.05,19.06,8.010,18.012,17]icosa-10(18),12,14,16-tetraen-19-ol

Structure

SMILES: C=C[C@@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)C3=CC=CC4=C3C3=C(N4)C(C)(C)[C@@H]4O[C@@H]4[C@@]1(N=C)[C@]32O

InChI: InChI=1S/C26H31ClN2O2/c1-8-24(6)16(27)12-15-22(2,3)13-10-9-11-14-17(13)18-19(29-14)23(4,5)20-21(31-20)26(24,28-7)25(15,18)30/h8-11,15-16,20-21,29-30H,1,7,12H2,2-6H3/t15-,16-,20-,21+,24+,25-,26+/m1/s1

InChIKey: MKRVHEXNGFBKJC-CXGOSFSJSA-N

Reference

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

PubChem CID: 163193894

LOTUS: LTS0024193

NPASS: NPC146726

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: 438.99900000000025

TPSA？: 60.91

MolLogP？: 4.964300000000006

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi