Karmitoxin
AlkaPlorer ID: AK303521
Synonym: None
IUPAC Name: None
Structure
SMILES: C=C/C=C/CCCCCCCCCC/C=C/C(O)C(O)C1OC(C(O)C(O)C(=C)CCC(O)C2OC(CC(O)C(O)C(C)CCCC(O)C(O)C(O)C(C)CC(O)/C=C/CC(O)CCCC(O)CC(=O)CC(O)CC/C=C/CC(O)/C=C/C=C/CN)C(O)C(O)C2O)CC(O)C1O
InChI: InChI=1S/C73H127NO23/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-36-56(82)66(90)73-67(91)59(85)45-60(97-73)68(92)63(87)47(3)38-39-57(83)72-71(95)70(94)69(93)61(96-72)44-58(84)62(86)46(2)28-25-37-55(81)65(89)64(88)48(4)41-51(77)34-26-32-50(76)33-27-35-53(79)43-54(80)42-52(78)31-21-18-20-29-49(75)30-22-19-24-40-74/h5-7,18-20,22-24,26,30,34,36,46,48-53,55-73,75-79,81-95H,1,3,8-17,21,25,27-29,31-33,35,37-45,74H2,2,4H3/b7-6+,20-18+,24-19+,30-22+,34-26+,36-23+
InChIKey: OWONYFGWIVVTML-JFWFBHMESA-N
Reference
CAS: 2095768-67-3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Karlodinium armiger | Karlodinium | Kareniaceae | Gymnodiniales | Dinophyceae | None | None | Eukaryota |
Properties Information
Molecule Weight: 1386.8030000000008
TPSA？: 466.1500000000001
MolLogP？: 2.1513000000000067
Number of H-Donors: 21
Number of H-Acceptors: 24
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|