Nigrunoids I (9a)
AlkaPlorer ID: AK017453
Synonym: None
IUPAC Name: None
Structure
SMILES: CC(C)CNC([C@@H]([C@@H]1C(N2CCCCC2)=O)C=C[C@@H]([C@@H]1/C=C/C3=CC=C4OCOC4=C3)CCCCC)=O
InChI: InChI=1S/C31H44N2O4/c1-4-5-7-10-24-13-15-26(30(34)32-20-22(2)3)29(31(35)33-17-8-6-9-18-33)25(24)14-11-23-12-16-27-28(19-23)37-21-36-27/h11-16,19,22,24-26,29H,4-10,17-18,20-21H2,1-3H3,(H,32,34)/b14-11+/t24-,25-,26+,29+/m0/s1
InChIKey: DQCNZUOTRDOWLJ-DHLQBYSVSA-N
Reference
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 508.7030000000003
TPSA?: 67.87
MolLogP?: 5.828100000000006
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|
