Calyculin A; 6Z-Isomer
AlkaPlorer ID: AK291495
Synonym: Calyculin E
IUPAC Name: None
Structure
SMILES: COCC(C(O)C(O)C(=O)NCCC(C)C1=NC(/C=C/CC2OC3(CC(O)C2C)OC(C(CC(O)C(C)C(O)C(C)/C=C(C)\C(C)=C/C=C\C(C)=C\C#N)OC)C(OP(=O)(O)O)C3(C)C)=CO1)N(C)C
InChI: InChI=1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14-,18-15+,29-20+,30-17-,32-24-
InChIKey: FKAWLXNLHHIHLA-JEKBPBPESA-N
Reference
CAS: 133445-05-3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lamellomorpha strongylata | Lamellomorpha | Vulcanellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1009.185
TPSA？: 286.98999999999995
MolLogP？: 4.688980000000007
Number of H-Donors: 8
Number of H-Acceptors: 16
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|