135257-47-5
AlkaPlorer ID: AK044823
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)OCCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@H](O)CCN)[C@@]5(CCC[C@H](C)O5)NC(=N2)N34)O1
InChI: InChI=1S/C46H82N6O7/c1-3-39-23-17-18-27-44(59-39)34-37-25-29-46(56)41(45(28-20-22-36(2)58-45)50-43(49-44)52(37)46)42(55)57-33-19-15-13-11-9-7-5-4-6-8-10-12-14-16-24-40(54)51(32-21-30-47)35-38(53)26-31-48/h17,23,36-39,41,53,56H,3-16,18-22,24-35,47-48H2,1-2H3,(H,49,50)/t36-,37+,38+,39+,41-,44+,45-,46+/m0/s1
InChIKey: BTWVHZGTFPNXQU-HHWYARSYSA-N
Reference
Crambescidins: new antiviral and cytotoxic compounds from the sponge Crambe crambe
PubChem CID: 163062910
LOTUS: LTS0253624
SuperNatural Ⅲ: SN0035335-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crambe crambe | Crambe (in: sponges) | Crambeidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 831.1969999999998
TPSA？: 185.2
MolLogP？: 6.527100000000009
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|