F1839-A
AlkaPlorer ID: AK033172
Synonym: None
IUPAC Name: (2R,3S,4aS,7R,8R,8aS)-2,3,4'-trihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-7,8-dihydro-3H-furo[2,3-e]isoindole]-6'-one
Structure
SMILES: C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12CC1=C(O)C=C3C(=O)NCC3=C1O2
InChI: InChI=1S/C23H31NO5/c1-11-5-6-17-21(2,3)19(27)16(26)9-22(17,4)23(11)8-13-15(25)7-12-14(18(13)29-23)10-24-20(12)28/h7,11,16-17,19,25-27H,5-6,8-10H2,1-4H3,(H,24,28)/t11-,16-,17+,19-,22+,23-/m1/s1
InChIKey: RUBLIKRGQGISNL-DXORJMCXSA-N
Reference
PubChem CID: 10069635
LOTUS: LTS0000346
SuperNatural Ⅲ: SN0335327-11
NPASS: NPC56530
{NPAtlas: NPA015246
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stachybotrys sp. | Stachybotrys | Stachybotryaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Stachybotrys chartarum | Stachybotrys | Stachybotryaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 401.50300000000016
TPSA？: 99.02
MolLogP？: 2.5134
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | Activity | None | None | 10.1021/np400824u |