448264-65-1
AlkaPlorer ID: AK013474
Synonym: '', 'Sebastianine B'
IUPAC Name: (14R,16R)-14-hydroxy-16-propan-2-yl-15-oxa-2,12,18-triazahexacyclo[11.8.1.114,18.03,8.09,22.021,23]tricosa-1,3,5,7,9(22),10,12,21(23)-octaen-17-one
Structure
SMILES: CC(C)[C@H]1O[C@]2(O)C3=C(CCN3C1=O)C1=C3C2=NC=CC3=C2C=CC=CC2=N1
InChI: InChI=1S/C22H19N3O3/c1-11(2)18-21(26)25-10-8-14-17-16-13(12-5-3-4-6-15(12)24-17)7-9-23-19(16)22(27,28-18)20(14)25/h3-7,9,11,18,27H,8,10H2,1-2H3/t18-,22+/m1/s1
InChIKey: KIKGCFUXDPHGDY-GCJKJVERSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cystodytes dellechiajei | Cystodytes | Polycitoridae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 373.412
TPSA？: 75.55000000000001
MolLogP？: 2.939900000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|