2-{6-[9a,11a-dimethyl-7-(sulfooxy)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylheptanamido}-3-methylpentanoic acid
AlkaPlorer ID: AK318791
Synonym: None
IUPAC Name: (2S,3S)-2-[[(2R,6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-sulfooxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoyl]amino]-3-methylpentanoic acid
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)[C@H](C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O
InChI: InChI=1S/C33H55NO7S/c1-7-20(2)29(31(36)37)34-30(35)22(4)10-8-9-21(3)26-13-14-27-25-12-11-23-19-24(41-42(38,39)40)15-17-32(23,5)28(25)16-18-33(26,27)6/h11,20-22,24-29H,7-10,12-19H2,1-6H3,(H,34,35)(H,36,37)(H,38,39,40)/t20-,21+,22+,24-,25-,26+,27-,28-,29-,32-,33+/m0/s1
InChIKey: XSTWYRBJPLEMGZ-JNUKRUBPSA-N
Reference
Boophiline, an antimicrobial sterol amide from the cattle tick <i>boophilus microplus</i>
PubChem CID: 163188583
LOTUS: LTS0235077
NPASS: NPC170548
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zanthoxylum wutaiense | Zanthoxylum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 609.8700000000001
TPSA？: 133.49
MolLogP？: 7.651700000000009
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|