3-hydroxy-N-methylwelwitindolinone C isothiocyanate
AlkaPlorer ID: AK023839
Synonym: None
IUPAC Name: (2S,3S,6R,8S)-4-chloro-3-ethenyl-8-hydroxy-2-isothiocyanato-3,7,7,10-tetramethyl-10-azatetracyclo[6.6.1.12,6.011,15]hexadeca-1(15),4,11,13-tetraene-9,16-dione
Structure
SMILES: C=C[C@]1(C)C(Cl)=C[C@H]2C(=O)[C@]1(N=C=S)C1=CC=CC3=C1[C@](O)(C(=O)N3C)C2(C)C
InChI: InChI=1S/C22H21ClN2O3S/c1-6-20(4)15(23)10-13-17(26)21(20,24-11-29)12-8-7-9-14-16(12)22(28,19(13,2)3)18(27)25(14)5/h6-10,13,28H,1H2,2-5H3/t13-,20+,21+,22-/m0/s1
InChIKey: VDNAFECSPBXWIH-WOHBTAIZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fischerella sp. | Fischerella | Hapalosiphonaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 428.9410000000002
TPSA？: 69.96999999999998
MolLogP？: 3.702400000000004
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|