Talaroconvolutin C
AlkaPlorer ID: AK033968
Synonym: None
IUPAC Name: 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]-4-ethoxy-5-hydroxy-5-[(4-hydroxyphenyl)methyl]pyrrolidin-2-one
Structure
SMILES: CCOC1C(C(=O)[C@H]2[C@@H](/C(C)=C/C(C)CC)C(C)=C[C@@]3(C)C[C@@H](C)CC[C@H]23)C(O)=NC1(O)CC1=CC=C(O)C=C1
InChI: InChI=1S/C34H49NO5/c1-8-20(3)16-22(5)27-23(6)18-33(7)17-21(4)10-15-26(33)28(27)30(37)29-31(40-9-2)34(39,35-32(29)38)19-24-11-13-25(36)14-12-24/h11-14,16,18,20-21,26-29,31,36,39H,8-10,15,17,19H2,1-7H3,(H,35,38)/b22-16+/t20?,21-,26+,27-,28+,29?,31?,33+,34?/m0/s1
InChIKey: SDUCDGMAWSHYSB-CITNPMNLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Talaromyces convolutus | Talaromyces | Trichocomaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 551.7680000000004
TPSA？: 99.35
MolLogP？: 6.81100000000001
Number of H-Donors: 3
Number of H-Acceptors: 5
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 fumigatus | Aspergillus fumigatus | IZ | 11.0 | mm | 10.1021/np990371x |
| Aspergillus niger | Aspergillus niger | Activity | nan | None | 10.1021/np990371x |
| Aspergillus niger | Aspergillus niger | IZ | 10.0 | mm | 10.1021/np990371x |
| Aspergillus niger | Aspergillus niger | IZ | 11.0 | mm | 10.1021/np990371x |
| Aspergillus niger | Aspergillus niger | IZ | nan | None | 10.1021/np990371x |
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np990371x |
| Candida albicans | Candida albicans | IZ | 10.0 | mm | 10.1021/np990371x |
| Candida albicans | Candida albicans | IZ | 11.0 | mm | 10.1021/np990371x |
| Cryptococcus neoformans | Cryptococcus neoformans | Activity | nan | None | 10.1021/np990371x |