Stachybocin E
AlkaPlorer ID: AK003702
Synonym: None
IUPAC Name: (3R,4aS,7R,8R,8aS)-7'-[4-[(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl]butyl]-3,4'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-6'-one
Structure
SMILES: C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12CC1=C(O)C=C3C(=O)N(CCCCN4CC5=C6O[C@]7(CC6=C(O)C=C5C4=O)[C@H](C)CC[C@H]4C(C)(C)[C@H](O)CC[C@@]47C)CC3=C1O2
InChI: InChI=1S/C50H68N2O8/c1-27-11-13-37-45(3,4)39(55)15-17-47(37,7)49(27)23-31-35(53)21-29-33(41(31)59-49)25-51(43(29)57)19-9-10-20-52-26-34-30(44(52)58)22-36(54)32-24-50(60-42(32)34)28(2)12-14-38-46(5,6)40(56)16-18-48(38,50)8/h21-22,27-28,37-40,53-56H,9-20,23-26H2,1-8H3/t27-,28-,37+,38+,39-,40-,47+,48+,49-,50-/m1/s1
InChIKey: QNKOXDNLJADOFO-UDHJRDDHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stachybotrys chartarum | Stachybotrys | Stachybotryaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 825.0999999999999
TPSA？: 140.0
MolLogP？: 8.303800000000011
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HEK-293T | Activity | None | None | 10.1021/np400683h |