Talaroconvolutin A
AlkaPlorer ID: AK033955
Synonym: None
IUPAC Name: (5Z)-3-[(1R,2S,4aS,6S,8aR)-3,4a,6-trimethyl-2-[(E)-4-methylhex-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl]-5-[(4-hydroxyphenyl)methylidene]pyrrol-2-one
Structure
SMILES: CCC(C)/C=C(\C)[C@H]1C(C)=C[C@@]2(C)C[C@@H](C)CC[C@@H]2[C@H]1C(=O)C1=C/C(=C/C2=CC=C(O)C=C2)N=C1O
InChI: InChI=1S/C32H41NO3/c1-7-19(2)14-21(4)28-22(5)18-32(6)17-20(3)8-13-27(32)29(28)30(35)26-16-24(33-31(26)36)15-23-9-11-25(34)12-10-23/h9-12,14-16,18-20,27-29,34H,7-8,13,17H2,1-6H3,(H,33,36)/b21-14+,24-15-/t19?,20-,27+,28-,29+,32+/m0/s1
InChIKey: QCTUYJGFLVZOTL-NKPJVERHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Talaromyces convolutus | Talaromyces | Trichocomaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 487.68400000000014
TPSA？: 69.89
MolLogP？: 7.825900000000009
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus fumigatus | Activity | nan | None | 10.1021/np990371x |
| Aspergillus niger | Aspergillus niger | Activity | nan | None | 10.1021/np990371x |
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np990371x |
| Cryptococcus neoformans | Cryptococcus neoformans | Activity | nan | None | 10.1021/np990371x |
| Homo sapiens | SW480 | IC50 | 8150.0 | nM | 10.1016/j.ejmech.2022.114861 |