Fasciculic acid C
AlkaPlorer ID: AK045256
Synonym: '(+)-Fasciculic acid C', 'Fasciculic acid C'
IUPAC Name: 2-[[(3S)-5-[[(2R,3R,5R,10S,12S,13R,14S,17R)-2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-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(C)(O)[C@H](O)CC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)C[C@@H](O)[C@H](OC(=O)C[C@@](C)(O)CC(=O)NCC(=O)O)C(C)(C)[C@@H]1CC3
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)/t21-,22+,25+,26-,27+,28-,32-,35-,36+,37-,38-/m0/s1
InChIKey: IOMBMOCSWVAYQU-ZLHZNRRGSA-N
Reference
Fasciculic acids A,B and C as calmodulin antagonists from the mushroom Naematoloma fasciculare.
PubChem CID: 73242212
LOTUS: LTS0229418
SuperNatural Ⅲ: SN0151021-08
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hypholoma fasciculare | Hypholoma | Strophariaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 709.918
TPSA？: 214.08
MolLogP？: 2.841600000000001
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|