Hapalindolinone A
AlkaPlorer ID: AK070177
Synonym: None
IUPAC Name: (1'S,2'S,3R,3'S,5'R,6'S)-3'-chloro-2'-ethenyl-2'-methyl-2-oxo-5'-prop-1-en-2-ylspiro[1H-indole-3,7'-bicyclo[4.1.0]heptane]-1'-carbonitrile
Structure
SMILES: C=C[C@]1(C)[C@@H](Cl)C[C@@H](C(=C)C)[C@H]2[C@]1(C#N)[C@@]21C(O)=NC2=CC=CC=C21
InChI: InChI=1S/C21H21ClN2O/c1-5-19(4)16(22)10-13(12(2)3)17-20(19,11-23)21(17)14-8-6-7-9-15(14)24-18(21)25/h5-9,13,16-17H,1-2,10H2,3-4H3,(H,24,25)/t13-,16-,17-,19+,20-,21+/m0/s1
InChIKey: CLXKBATYSCEAQF-ZEHUYGQASA-N
Reference
Unusual cyclopropane-containing hapalindolinones from a cultured cyanobacterium
PubChem CID: 135026998
LOTUS: LTS0084783
{NPAtlas: NPA017516
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fischerella sp. | Fischerella | Hapalosiphonaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 352.86500000000007
TPSA？: 56.38
MolLogP？: 5.061480000000005
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|