Thomitrem A
AlkaPlorer ID: AK065161
Synonym: '', 'Thomitrem A'
IUPAC Name: (2S,3R,6S,8R,9S,10R,12R,13S,21S,22R,24R)-28-chloro-22-(2-hydroxypropan-2-yl)-2,3-dimethyl-25-methylidene-8-prop-1-en-2-yl-7,11-dioxa-31-azanonacyclo[16.13.0.02,16.03,13.06,12.010,12.019,30.020,27.021,24]hentriaconta-1(18),16,19,27,29-pentaene-9,13,21-triol
Structure
SMILES: C=C(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CCC4=CC5=C(NC6=CC(Cl)=C7CC(=C)[C@H]8C[C@H](C(C)(C)O)[C@]8(O)C7=C56)[C@@]43C)[C@@]23O[C@@H]3[C@H]1O
InChI: InChI=1S/C37H44ClNO6/c1-16(2)29-28(40)31-37(45-31)25(44-29)9-10-33(6)34(7)18(8-11-35(33,37)42)13-20-26-23(39-30(20)34)15-22(38)19-12-17(3)21-14-24(32(4,5)41)36(21,43)27(19)26/h13,15,21,24-25,28-29,31,39-43H,1,3,8-12,14H2,2,4-7H3/t21-,24-,25+,28+,29-,31-,33-,34-,35+,36+,37-/m1/s1
InChIKey: PMPHDHXBVFVWMQ-WUOZXFNASA-N
Reference
Thomitrems A and E, two indole-alkaloid isoprenoids from Penicillium crustosum Thom
PubChem CID: 162921621
LOTUS: LTS0255164
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium crustosum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 634.2130000000002
TPSA？: 118.47
MolLogP？: 5.349900000000009
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|