Crambescidin 431; Parent acid
AlkaPlorer ID: AK293161
Synonym: Crambescidin acid
IUPAC Name: None
Structure
SMILES: CCC1C=CCCC2(CC3CCC4C(C(=O)O)C5(CCCC(C)O5)N=C(N2)N34)O1
InChI: InChI=1S/C22H33N3O4/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/h4,8,14-18H,3,5-7,9-13H2,1-2H3,(H,23,24)(H,26,27)
InChIKey: HLGCWRQIOSDKPN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Monanchora unguiculata | Monanchora | Crambeidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 403.5230000000002
TPSA？: 83.39
MolLogP？: 3.009900000000001
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|