BioLiP

PDB

BioLiP

PDB CCD ID:

TMH

Number of entries in BioLiP:

Chemical formula:

C10 H16

InChI:

InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1

InChIKey:

GRWFGVWFFZKLTI-RKDXNWHRSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC1=CC[CH]2C[CH]1C2(C)C
CACTVS 3.385 OpenEye OEToolkits 1.7.6	CC1=CC[C@@H]2C[C@H]1C2(C)C
ACDLabs 12.01	C1(=CCC2CC1C2(C)C)C
OpenEye OEToolkits 1.7.6	CC1=CCC2CC1C2(C)C

Name:

(+)-alpha-Pinene;
(+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE

ChEMBL:

CHEMBL1236329

ZINC:

ZINC000000967579

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).