Borrelidin O
AlkaPlorer ID: AK005202
Synonym: None
IUPAC Name: (1S)-2-[(2R,4E,6Z,8S,9S,11R,13S,15R,16R)-7-cyano-8,13,16-trihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid
Structure
SMILES: C[C@@H]1C[C@H](C)[C@H](O)/C(C#N)=C\C=C\C[C@H](C2CCC[C@@H]2C(=O)O)OC(=O)C[C@@H](O)[C@H](C)C[C@@](C)(O)C1
InChI: InChI=1S/C28H43NO7/c1-17-12-18(2)26(32)20(16-29)8-5-6-11-24(21-9-7-10-22(21)27(33)34)36-25(31)13-23(30)19(3)15-28(4,35)14-17/h5-6,8,17-19,21-24,26,30,32,35H,7,9-15H2,1-4H3,(H,33,34)/b6-5+,20-8-/t17-,18+,19-,21?,22+,23-,24-,26+,28+/m1/s1
InChIKey: MHQGUEFUFYCTHD-IUGMFIDKSA-N
Reference
New Borrelidins from <i>Onchidium</i> sp. Associated <i>Streptomyces olivaceus</i> SCSIO LO13
PubChem CID: 163111126
LOTUS: LTS0270751
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces olivaceus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 505.6520000000003
TPSA？: 148.08
MolLogP？: 3.750480000000002
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|