Pardinol E
AlkaPlorer ID: AK328652
Synonym: None
IUPAC Name: [17-(5,6-dihydroxy-6-methylheptan-2-yl)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl] 5-[(1-acetyloxy-3-methoxy-3-oxo-1-phenylpropan-2-yl)amino]-3-hydroxy-3-methyl-5-oxopentanoate
Structure
SMILES: COC(=O)C(N=C(O)CC(C)(O)CC(=O)OC1CC2(C)C3=C(CCC2C(C)(C)C1O)C1(C)CCC(C(C)CCC(O)C(C)(C)O)C1(C)C(O)C3)C(OC(C)=O)C1=CC=CC=C1
InChI: InChI=1S/C48H73NO12/c1-27(17-20-35(51)44(5,6)57)30-21-22-47(9)31-18-19-34-43(3,4)41(55)33(24-46(34,8)32(31)23-36(52)48(30,47)10)61-38(54)26-45(7,58)25-37(53)49-39(42(56)59-11)40(60-28(2)50)29-15-13-12-14-16-29/h12-16,27,30,33-36,39-41,51-52,55,57-58H,17-26H2,1-11H3,(H,49,53)
InChIKey: AAJAPPYEUBJOGG-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tricholoma pardinum | Tricholoma | Tricholomataceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 856.1070000000002
TPSA？: 212.64
MolLogP？: 6.470900000000009
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|