Neopestalotin D
AlkaPlorer ID: AK097967
Synonym: None
IUPAC Name: [(2S,4aR,5S,6R,8aS)-5-[(Z)-hydroxy-[(5S)-5-[(1R)-1-hydroxyethyl]-2,4-dioxopyrrolidin-3-ylidene]methyl]-5,7-dimethyl-6-[(E)-prop-1-enyl]-2,3,4,4a,6,8a-hexahydro-1H-naphthalen-2-yl]methyl acetate
Structure
SMILES: C/C=C/[C@@H]1C(C)=C[C@@H]2C[C@@H](COC(C)=O)CC[C@H]2[C@]1(C)/C(O)=C1\C(=O)[C@H]([C@@H](C)O)N=C1O
InChI: InChI=1S/C25H35NO6/c1-6-7-18-13(2)10-17-11-16(12-32-15(4)28)8-9-19(17)25(18,5)23(30)20-22(29)21(14(3)27)26-24(20)31/h6-7,10,14,16-19,21,27,30H,8-9,11-12H2,1-5H3,(H,26,31)/b7-6+,23-20-/t14-,16+,17-,18-,19-,21+,25-/m1/s1
InChIKey: KBJBNBKVTYSUKZ-LHNSTSOTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neopestalotiopsis sp. | Neopestalotiopsis | Sporocadaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 445.55600000000015
TPSA？: 116.42
MolLogP？: 3.841200000000003
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|