Fasciculic acid C; 2-Acyl isomer
AlkaPlorer ID: AK298250
Synonym: Fasciculic acid D
IUPAC Name: 2-[[5-[[2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoyl]amino]acetic acid
Structure
SMILES: CC(O)(CC(=O)OC1C(O)CC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(CO)CCC(O)C(C)(C)O)C1(C)C(O)C3)CC(O)=NCC(=O)O
InChI: InChI=1S/C38H63NO11/c1-33(2)26-11-10-23-24(15-28(43)38(8)22(13-14-37(23,38)7)21(20-40)9-12-27(42)34(3,4)48)36(26,6)16-25(41)32(33)50-31(47)18-35(5,49)17-29(44)39-19-30(45)46/h21-22,25-28,32,40-43,48-49H,9-20H2,1-8H3,(H,39,44)(H,45,46)
InChIKey: IOMBMOCSWVAYQU-UHFFFAOYSA-N
Reference
Fasciculic acids A,B and C as calmodulin antagonists from the mushroom Naematoloma fasciculare.
PubChem CID: 45783123
CAS: 126882-56-2
LOTUS: LTS0091487
COCONUT: CNP0325166.7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hypholoma fasciculare | Hypholoma | Strophariaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 709.9180000000002
TPSA？: 217.57
MolLogP？: 3.6819000000000015
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|