Pardinol C
AlkaPlorer ID: AK114566
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)-3-hydroxy-5-[[(1S,2S)-1-hydroxy-3-methoxy-3-oxo-1-phenylpropan-2-yl]amino]-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](O)C1=CC=CC=C1
InChI: InChI=1S/C46H71NO11/c1-26(16-19-33(48)42(4,5)55)28-20-21-45(8)29-17-18-32-41(2,3)39(53)31(23-44(32,7)30(29)22-34(49)46(28,45)9)58-36(51)25-43(6,56)24-35(50)47-37(40(54)57-10)38(52)27-14-12-11-13-15-27/h11-15,26,28,31-34,37-39,48-49,52-53,55-56H,16-25H2,1-10H3,(H,47,50)/t26-,28-,31-,32+,33-,34+,37+,38+,39+,43-,44-,45+,46+/m1/s1
InChIKey: BKWGPNSHTAIBII-FINKOGSESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tricholoma pardinum | Tricholoma | Tricholomataceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 814.0700000000003
TPSA？: 206.57
MolLogP？: 5.900100000000009
Number of H-Donors: 7
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|