12-epi-fischerindole I nitrile
AlkaPlorer ID: AK069964
Synonym: None
IUPAC Name: (6aS,8R,9S)-8-chloro-9-ethenyl-6,6,9-trimethyl-5,6a,7,8-tetrahydroindeno[2,1-b]indole-10-carbonitrile
Structure
SMILES: C=C[C@@]1(C)C(C#N)=C2C3=C(NC4=CC=CC=C34)C(C)(C)[C@H]2C[C@H]1Cl
InChI: InChI=1S/C21H21ClN2/c1-5-21(4)14(11-23)18-13(10-16(21)22)20(2,3)19-17(18)12-8-6-7-9-15(12)24-19/h5-9,13,16,24H,1,10H2,2-4H3/t13-,16+,21-/m0/s1
InChIKey: QBZITGWHJDUKFN-QSZISKGPSA-N
Reference
Nitrile-containing fischerindoles from the cultured cyanobacterium Fischerella sp.
PubChem CID: 57407824
LOTUS: LTS0015718
{NPAtlas: NPA014127
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fischerella sp. | Fischerella | Hapalosiphonaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 336.8660000000001
TPSA？: 39.58
MolLogP？: 5.555880000000005
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|