None
AlkaPlorer ID: AK323439
Synonym: None
IUPAC Name: (2R)-2-amino-3-[[(1S,3S)-3,7-dihydroxy-5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-1,3-dihydroinden-1-yl]sulfanyl]propanoic acid
Structure
SMILES: CC1=C(O)C2=C(C(C)=C1CCO)[C@H](O)C(C)(C)[C@@H]2SC[C@H](N)C(=O)O
InChI: InChI=1S/C18H27NO5S/c1-8-10(5-6-20)9(2)14(21)13-12(8)15(22)18(3,4)16(13)25-7-11(19)17(23)24/h11,15-16,20-22H,5-7,19H2,1-4H3,(H,23,24)/t11-,15-,16+/m0/s1
InChIKey: JHOMHDIYMKJFGR-KNXALSJPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Granulobasidium vellereum | Granulobasidium | Cyphellaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 369.4830000000001
TPSA？: 124.01
MolLogP？: 1.80324
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | No relevant target | Drug metabolism | None | None | 10.1021/acs.jnatprod.5b00500 |