SEQ2FUN

BioLiP

PDB CCD ID: SJA
Number of entries in BioLiP: 1
Chemical formula: C15 H24
InChI: InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9,12-15H,1,5-8H2,2-4H3/t12-,13+,14+,15-/m1/s1
InChIKey: HMTAHNDPLDKYJT-CBBWQLFWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(C)=C
OpenEye OEToolkits 2.0.7CC1CCC(C2C1CCC(=C2)C)C(=C)C
OpenEye OEToolkits 2.0.7C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)C(=C)C
CACTVS 3.385C[CH]1CC[CH]([CH]2C=C(C)CC[CH]12)C(C)=C
Name:Amorphadiene;
(1~{R},4~{R},4~{a}~{S},8~{a}~{R})-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4~{a},5,6,8~{a}-octahydronaphthalene
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).