Borrelidin I
AlkaPlorer ID: AK023236
Synonym: None
IUPAC Name: (1R,2R)-2-[(2S,4E,6Z,8S,9S,11R,13S,15S,16S)-7-(acetamidomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid
Structure
SMILES: CC(O)=NC/C1=C/C=C/C[C@@H]([C@@H]2CCC[C@H]2C(=O)O)OC(=O)C[C@H](O)[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@H](C)[C@@H]1O
InChI: InChI=1S/C30H49NO7/c1-18-13-19(2)15-21(4)29(35)23(17-31-22(5)32)9-6-7-12-27(24-10-8-11-25(24)30(36)37)38-28(34)16-26(33)20(3)14-18/h6-7,9,18-21,24-27,29,33,35H,8,10-17H2,1-5H3,(H,31,32)(H,36,37)/b7-6+,23-9-/t18-,19+,20-,21-,24+,25+,26-,27-,29-/m0/s1
InChIKey: WQTIQBNENBKLFZ-ZCMWKSJHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces rochei | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 535.7220000000004
TPSA？: 136.65
MolLogP？: 5.088400000000005
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|