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BioLiP

PDB CCD ID: EL3
Number of entries in BioLiP: 4
Chemical formula: C15 H24
InChI: InChI=1S/C15H24/c1-10-5-6-13-11(2)14(3,4)12-7-8-15(10,13)9-12/h10,12H,5-9H2,1-4H3/t10-,12-,15+/m0/s1
InChIKey: CYLSPJUZBPWJGC-ITDIGPHOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]1CCC2=C(C([C@H]3CC[C@@]12C3)(C)C)C
OpenEye OEToolkits 1.5.0CC1CCC2=C(C(C3CCC12C3)(C)C)C
CACTVS 3.341C[CH]1CCC2=C(C)C(C)(C)[CH]3CC[C]12C3
CACTVS 3.341C[C@H]1CCC2=C(C)C(C)(C)[C@H]3CC[C@@]12C3
ACDLabs 10.04C3(=C1CCC(C12CCC(C2)C3(C)C)C)C
Name:(3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene;
2,2,3,7R-tetramethyl-1R,8S-tricyclo-[6.2.1.0(4,8)]undec-3-en
ZINC: ZINC000030730502
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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