Crambescidin 401
AlkaPlorer ID: AK005051
Synonym: None
IUPAC Name: None
Structure
SMILES: CC[C@H]1C=CCC[C@]2(O1)C[C@@H]3CCC4=C([C@]5(CCC[C@H](O5)C)N=C(N34)N2)C(=O)O
InChI: InChI=1S/C22H31N3O4/c1-3-16-8-4-5-11-21(29-16)13-15-9-10-17-18(19(26)27)22(12-6-7-14(2)28-22)24-20(23-21)25(15)17/h4,8,14-16H,3,5-7,9-13H2,1-2H3,(H,23,24)(H,26,27)/t14-,15+,16+,21+,22-/m1/s1
InChIKey: CRQLUZOAOKXVKN-DRZYCYNKSA-N
Reference
PubChem CID: 146170778
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crambe crambe | Crambe (in: sponges) | Crambeidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 401.50700000000006
TPSA？: 83.39
MolLogP？: 3.2792000000000012
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|