Stachybotramide
AlkaPlorer ID: AK002240
Synonym: 'Chartarlactam N'
IUPAC Name: (3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-7'-(2-hydroxyethyl)-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(CCO)CC3=C1O2
InChI: InChI=1S/C25H35NO5/c1-14-5-6-19-23(2,3)20(29)7-8-24(19,4)25(14)12-16-18(28)11-15-17(21(16)31-25)13-26(9-10-27)22(15)30/h11,14,19-20,27-29H,5-10,12-13H2,1-4H3/t14-,19+,20-,24+,25-/m1/s1
InChIKey: ZHECNBLIOXZXBL-TUJJLKMMSA-N
Reference
Secondary metabolites of the aspen fungus <i>Stachybotrys</i> <i>cylindrospora</i>
PubChem CID: 10477748
LOTUS: LTS0187887
SuperNatural Ⅲ: SN0470274-06
NPASS: NPC124326
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stachybotrys chartarum | Stachybotrys | Stachybotryaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 429.5570000000002
TPSA？: 90.23
MolLogP？: 3.247300000000002
Number of H-Donors: 3
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 |