None
AlkaPlorer ID: AK324872
Synonym: None
IUPAC Name: (1R,2R,3S,10E,12E,14S,17R,18S,19R,21S,22R,23E,25S,29S,30R,31S,32S,33S,38E,40R,41R,43R,47E,50R)-14,18,19,22,30,31,33,40,41,43-decahydroxy-2,11,23,47,50-pentamethyl-35-methylidene-26,53,54-trioxa-6-azahexacyclo[23.21.5.13,45.117,21.129,32.02,7]tetrapentaconta-6,10,12,23,38,45,47-heptaen-27-one
Structure
SMILES: C=C1CC/C=C/[C@@H](O)[C@H](O)C[C@H](O)CC2=C[C@@H]3/C(C)=C/C[C@@H](C)C[C@@H](/C=C(\C)[C@@H](O)[C@@H]4C[C@@H](O)[C@H](O)[C@@H](CC[C@H](O)/C=C/C(C)=C/CCC5=NCC[C@H](C2)[C@@]53C)O4)OC(=O)C[C@@H]2O[C@H]([C@@H](O)[C@H]2O)[C@@H](O)C1
InChI: InChI=1S/C56H85NO14/c1-31-11-9-13-49-56(6)37(20-21-57-49)25-36-26-39(59)28-43(61)42(60)12-8-7-10-32(2)23-45(63)55-54(68)53(67)48(71-55)30-50(64)69-40(22-33(3)14-16-34(4)41(56)27-36)24-35(5)51(65)47-29-44(62)52(66)46(70-47)19-18-38(58)17-15-31/h8,11-12,15-17,24,27,33,37-48,51-55,58-63,65-68H,2,7,9-10,13-14,18-23,25-26,28-30H2,1,3-6H3/b12-8+,17-15+,31-11+,34-16+,35-24+/t33-,37-,38-,39-,40+,41-,42-,43-,44-,45+,46-,47+,48+,51-,52+,53+,54+,55+,56-/m1/s1
InChIKey: FFKUSYCNOOHWQX-KDSFNOHNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Prorocentrum lima | Prorocentrum | Prorocentraceae | Prorocentrales | Dinophyceae | None | None | Eukaryota |
Properties Information
Molecule Weight: 996.2889999999998
TPSA？: 259.42
MolLogP？: 4.697600000000007
Number of H-Donors: 10
Number of H-Acceptors: 15
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-116 | IC50 | 2200.0 | nM | 10.1021/acs.jnatprod.8b00988 |
| Homo sapiens | HepG2 | IC50 | 50000.0 | nM | 10.1021/acs.jnatprod.8b00988 |
| Mus musculus | N2a | IC50 | 5200.0 | nM | 10.1021/acs.jnatprod.8b00988 |