Callipeltoside A
AlkaPlorer ID: AK291446
Synonym: None
IUPAC Name: 6-[[5-[6-(2-chlorocyclopropyl)hexa-1,3-dien-5-ynyl]-1-hydroxy-9-methoxy-7,10,12-trimethyl-3-oxo-4,15-dioxabicyclo[9.3.1]pentadec-7-en-13-yl]oxy]-7-methoxy-4,7a-dimethyl-3a,4,6,7-tetrahydro-3H-pyrano[3,4-d][1,3]oxazol-2-one
Structure
SMILES: COC1C=C(C)CC(C=CC=CC#CC2CC2Cl)OC(=O)CC2(O)CC(OC3OC(C)C4NC(=O)OC4(C)C3OC)C(C)C(O2)C1C
InChI: InChI=1S/C35H48ClNO10/c1-19-14-24(13-11-9-8-10-12-23-16-25(23)36)44-28(38)18-35(40)17-27(21(3)29(46-35)20(2)26(15-19)41-6)45-32-31(42-7)34(5)30(22(4)43-32)37-33(39)47-34/h8-9,11,13,15,20-27,29-32,40H,14,16-18H2,1-7H3,(H,37,39)
InChIKey: MGPINEQSKAFLSF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Callipelta | Neopeltidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 678.2190000000002
TPSA？: 131.01000000000002
MolLogP？: 4.1582000000000034
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|