Structure Database (LMSD)

Common Name
Formicolide A
Systematic Name
Synonyms
LM ID
LMPK04000043
Formula
C33H48O8
Exact Mass
Calculate m/z
572.33492
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Macrolides and lactone polyketides [PK04]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Streptomyces sp. (#1931)
Actinomycetes (#1760)
Formicolides A and B, Antioxidative and Antiangiogenic 20-Membered Macrolides from a Wood Ant Gut Bacterium.,
J Nat Prod, 2020
Pubmed ID: 32892623

String Representations

InChiKey (Click to copy)
VBMHBEBBOYSDHS-UCXQCCCXSA-N
InChi (Click to copy)
InChI=1S/C33H48O8/c1-7-18-33(39)20-28(36)24(5)32(41-33)25(6)29-15-10-8-9-14-26(34)31(38)23(4)13-11-12-21(2)19-27(35)22(3)16-17-30(37)40-29/h8-14,16,19,24-29,32,34-36,39H,7,15,17-18,20H2,1-6H3/b10-8+,12-11+,14-9+,21-19+,22-16+,23-13+/t24-,25-,26+,27-,28+,29+,32-,33-/m1/s1
SMILES (Click to copy)
C1(=O)O[C@H]([C@H]([C@@H]2O[C@](O)(CCC)C[C@H](O)[C@H]2C)C)CC=CC=C[C@H](O)C(=O)C(C)=CC=CC(C)=C[C@@H](O)C(C)=CC1

Other Databases

PubChem CID
156580880

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 2
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 603.94
Topological Polar Surface Area 137.66
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP 6.12
Molar Refractivity 161.58

Admin

Created at
7th Sep 2020
Updated at
7th Sep 2020