Caldorin
AlkaPlorer ID: AK151767
Synonym: None
IUPAC Name: (1R,2S,4aS,8aS)-2-hydroxy-N-(3-methylbutyl)-2-propyl-4a,5,8,8a-tetrahydro-1H-naphthalene-1-carboxamide
Structure
SMILES: CCC[C@]1(O)C=C[C@@H]2CC=CC[C@@H]2[C@H]1C(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)/t15-,16-,17-,19-/m0/s1
InChIKey: PLVLPRNEONNYSF-DWRORGKVSA-N
Reference
Caldorin, a new polyketide from the marine cyanobacterium Caldora penicillata
PubChem CID: 139591244
LOTUS: LTS0080003
{NPAtlas: NPA024077
Source
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
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