Trichomide D
AlkaPlorer ID: AK147726
Synonym: None
IUPAC Name: (3R,10S,13S,16S,19S,20S)-13,16-bis[(2S)-butan-2-yl]-3-[(2S)-3-chloro-2-hydroxypropyl]-10,11,14,20-tetramethyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Structure
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H](C)CCN2C(=O)[C@@H](C[C@H](O)CCl)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)CC)N(C)C1=O
InChI: InChI=1S/C31H52ClN5O8/c1-9-17(3)24-30(43)36(8)26(18(4)10-2)31(44)35(7)20(6)27(40)33-13-11-23(39)45-22(15-21(38)16-32)29(42)37-14-12-19(5)25(37)28(41)34-24/h17-22,24-26,38H,9-16H2,1-8H3,(H,33,40)(H,34,41)/t17-,18-,19-,20-,21-,22+,24-,25-,26-/m0/s1
InChIKey: YLJGPZCOGZACRT-DPSFEFNXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trichothecium roseum | Trichothecium | None | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 658.2370000000001
TPSA？: 165.66
MolLogP？: 0.8958000000000061
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa S3 | IC50 | 31.0 | nM | 10.1021/acs.jnatprod.2c00440 |
| Homo sapiens | MCF7 | IC50 | 340.0 | nM | 10.1021/acs.jnatprod.2c00440 |