Molecule

12-epi-fisherindole U isothiocyanate

AlkaPlorer ID: AK003219

Synonym: None

IUPAC Name: (6aS,9S,10R,10aS)-9-ethenyl-10-isothiocyanato-6,6,9-trimethyl-5,6a,7,8,10,10a-hexahydroindeno[2,1-b]indole

Structure

SMILES: C=C[C@]1(C)CC[C@H]2[C@@H](C3=C(NC4=CC=CC=C34)C2(C)C)[C@H]1N=C=S

InChI: InChI=1S/C21H24N2S/c1-5-21(4)11-10-14-17(19(21)22-12-24)16-13-8-6-7-9-15(13)23-18(16)20(14,2)3/h5-9,14,17,19,23H,1,10-11H2,2-4H3/t14-,17-,19+,21+/m0/s1

InChIKey: SKPZPLQBYCKOGH-QBGRRASTSA-N

Reference

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

PubChem CID: 101677548

LOTUS: LTS0112965

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NPAtlas: NPA009532

Source

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

Properties Information

Molecule Weight: 336.5040000000001

TPSA？: 28.15

MolLogP？: 5.616400000000005

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi