Molecule

Welwitindolinone B isothiocyanate; 13,14-Didehydro

AlkaPlorer ID: AK317881

Synonym: Welwitindolinone C isothiocyanate

IUPAC Name: 4-chloro-3-ethenyl-2-isothiocyanato-3,7,7-trimethyl-10-azatetracyclo[6.6.1.12,6.011,15]hexadeca-1(15),4,11,13-tetraene-9,16-dione

Structure

SMILES: C=CC1(C)C(Cl)=CC2C(=O)C1(N=C=S)C1=CC=CC3=C1C(C(O)=N3)C2(C)C

InChI: InChI=1S/C21H19ClN2O2S/c1-5-20(4)14(22)9-12-17(25)21(20,23-10-27)11-7-6-8-13-15(11)16(18(26)24-13)19(12,2)3/h5-9,12,16H,1H2,2-4H3,(H,24,26)

InChIKey: AVHUCHOOGRXBJM-UHFFFAOYSA-N

Reference

Welwitindolinones, Unusual Alkaloids from the Blue-Green Algae Hapalosiphon welwitschii and Westiella intricata. Relationship to Fischerindoles and Hapalinodoles

PubChem CID: 85102646

LOTUS: LTS0238363

COCONUT: CNP0167775.3

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Hapalosiphon welwitschii	Hapalosiphon	Hapalosiphonaceae	Nostocales	Cyanophyceae	Cyanobacteriota	None	Bacteria
Westiella intricata	Westiella	Hapalosiphonaceae	Nostocales	Cyanophyceae	Cyanobacteriota	None	Bacteria

Properties Information

Molecule Weight: 398.9150000000001

TPSA？: 62.02

MolLogP？: 5.223600000000004

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi