135283-73-7
AlkaPlorer ID: AK044855
Synonym: None
IUPAC Name: None
Structure
SMILES: CC[C@@H]1C=CCC[C@]2(C[C@H]3CC[C@@]4(O)[C@@H](C(=O)OCCCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@H](O)CCN)[C@@]5(CCC[C@H](C)O5)NC(=N2)N34)O1
InChI: InChI=1S/C47H84N6O7/c1-3-40-24-18-19-28-45(60-40)35-38-26-30-47(57)42(46(29-21-23-37(2)59-46)51-44(50-45)53(38)47)43(56)58-34-20-16-14-12-10-8-6-4-5-7-9-11-13-15-17-25-41(55)52(33-22-31-48)36-39(54)27-32-49/h18,24,37-40,42,54,57H,3-17,19-23,25-36,48-49H2,1-2H3,(H,50,51)/t37-,38+,39+,40+,42-,45+,46-,47+/m0/s1
InChIKey: CFKOOXUJXPFYCC-JZNYLPKFSA-N
Reference
Crambescidins: new antiviral and cytotoxic compounds from the sponge Crambe crambe
PubChem CID: 163045944
LOTUS: LTS0136854
SuperNatural Ⅲ: SN0044290-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crambe crambe | Crambe (in: sponges) | Crambeidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 845.2239999999998
TPSA？: 185.2
MolLogP？: 6.917200000000008
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|