BioLiP

PDB

BioLiP

PDB CCD ID:

GH9

Number of entries in BioLiP:

Chemical formula:

C10 H16 O

InChI:

InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1

InChIKey:

CCEFMUBVSUDRLG-KXUCPTDWSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CC12CCC(CC2O1)C(=C)C
OpenEye OEToolkits 2.0.7	CC(=C)C1CCC2(C(C1)O2)C
CACTVS 3.385	CC(=C)[CH]1CC[C]2(C)O[CH]2C1
OpenEye OEToolkits 2.0.7	CC(=C)[C@@H]1CC[C@@]2([C@H](C1)O2)C
CACTVS 3.385	CC(=C)[C@@H]1CC[C@@]2(C)O[C@H]2C1

Name:

(1R,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane;
+(-)-limonene oxide

DrugBank:

DB02924

ZINC:

ZINC000002545304

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).