Pardinol E
AlkaPlorer ID: AK114576
Synonym: None
IUPAC Name: [(2R,3R,5R,10S,12S,13R,14S,17R)-17-[(2R,5R)-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] (3R)-5-[[(1S,2S)-1-acetyloxy-3-methoxy-3-oxo-1-phenylpropan-2-yl]amino]-3-hydroxy-3-methyl-5-oxopentanoate
Structure
SMILES: COC(=O)[C@@H](N=C(O)C[C@@](C)(O)CC(=O)O[C@@H]1C[C@]2(C)C3=C(CC[C@H]2C(C)(C)[C@H]1O)[C@]1(C)CC[C@H]([C@H](C)CC[C@@H](O)C(C)(C)O)[C@@]1(C)[C@@H](O)C3)[C@@H](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)/t27-,30-,33-,34+,35-,36+,39+,40+,41+,45-,46-,47+,48+/m1/s1
InChIKey: AAJAPPYEUBJOGG-DERQANKZSA-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 |
|---|