BioLiP

PDB

BioLiP

PDB CCD ID:

3V4

Number of entries in BioLiP:

Chemical formula:

C10 H16

InChI:

InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m0/s1

InChIKey:

BQOFWKZOCNGFEC-DTWKUNHWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC1=CCC2C(C1)C2(C)C
CACTVS 3.385	CC1=CC[CH]2[CH](C1)C2(C)C
CACTVS 3.385 OpenEye OEToolkits 1.7.6	CC1=CC[C@H]2[C@@H](C1)C2(C)C
ACDLabs 12.01	C1(=CCC2C(C1)C2(C)C)C

Name:

(+)-3-carene;
(1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene

ZINC:

ZINC000000967562

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).