BioLiP

PDB

BioLiP

PDB CCD ID:

XGE

Number of entries in BioLiP:

Chemical formula:

C10 H18 O

InChI:

InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1

InChIKey:

WUOACPNHFRMFPN-SECBINFHSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC1=CC[C@H](CC1)C(C)(C)O
OpenEye OEToolkits 2.0.7	CC1=CCC(CC1)C(C)(C)O
CACTVS 3.385	CC1=CC[CH](CC1)C(C)(C)O
ACDLabs 12.01	CC1=CCC(CC1)C(O)(C)C

Name:

alpha-TERPINEOL;
2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol

ChEMBL:

CHEMBL447597

ZINC:

ZINC000000967595

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).