Caldorin
AlkaPlorer ID: AK490539
Synonym: None
IUPAC Name: 2-hydroxy-N-(3-methylbutyl)-2-propyl-4a,5,8,8a-tetrahydro-1H-naphthalene-1-carboxamide
Structure
SMILES: CCCC1(O)C=CC2CC=CCC2C1C(O)=NCCC(C)C
InChI: InChI=1S/C19H31NO2/c1-4-11-19(22)12-9-15-7-5-6-8-16(15)17(19)18(21)20-13-10-14(2)3/h5-6,9,12,14-17,22H,4,7-8,10-11,13H2,1-3H3,(H,20,21)
InChIKey: PLVLPRNEONNYSF-UHFFFAOYSA-N
Reference
Caldorin, a new polyketide from the marine cyanobacterium Caldora penicillata
PubChem CID: 163044105
LOTUS: LTS0055218
COCONUT: CNP0325810.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Caldora penicillata | Caldora | None | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 305.46200000000005
TPSA？: 52.82
MolLogP？: 4.288600000000003
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|