Crambescidin 816
AlkaPlorer ID: AK293162
Synonym: None
IUPAC Name: None
Structure
SMILES: CCC1C=CCCC2(CC3CCC4(O)C(C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)CC(O)CCN)C5(CCCC(C)O5)NC(=N2)N34)O1
InChI: InChI=1S/C45H80N6O7/c1-3-38-22-16-17-26-43(58-38)33-36-24-28-45(55)40(44(27-19-21-35(2)57-44)49-42(48-43)51(36)45)41(54)56-32-18-14-12-10-8-6-4-5-7-9-11-13-15-23-39(53)50(31-20-29-46)34-37(52)25-30-47/h16,22,35-38,40,52,55H,3-15,17-21,23-34,46-47H2,1-2H3,(H,48,49)
InChIKey: DFDTZECTHJFPHE-UHFFFAOYSA-N
Reference
Novel Alkaloids from the Sponge Batzella sp.: Inhibitors of HIV gp120-Human CD4 Binding
PubChem CID: 164382
CAS: 135257-45-3
LOTUS: LTS0168883
COCONUT: CNP0276399.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crambe crambe | Crambe (in: sponges) | Crambeidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Batzella | Chondropsidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Batzella | Chondropsidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 817.1699999999998
TPSA？: 185.2
MolLogP？: 6.137000000000008
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|