Toggle navigation
Cannabis Database
Browse
Compounds
Protein Targets
Cannabis Cultivars
Pathways
Search
ChemQuery Structure Search
Molecular Weight Search
Text Query
Sequence Search
Advanced Search
LC-MS Search
LC-MS/MS Search
GC-MS Search
NMR Search
Downloads
About
About Cannabis Compound Database
Statistics
FAIR Compliance
API Information
Wishart Research Group
Contact Us
Search
Showing structure for CDB005014 (Dihydrozeatin-O-glucoside)
156908000 -OEChem-12282219273D 52 54 0 1 0 0 0 0 0999 V2000 4.0690 -0.6669 -0.0523 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8608 -0.9349 0.6588 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1808 3.2279 1.2746 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1579 2.3069 -0.6152 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 1.9071 0.8497 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9888 -1.8439 -1.6134 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 -0.9692 0.3946 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 -0.1632 -1.6834 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4032 0.2987 1.5412 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8017 1.0594 -1.8358 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9219 1.3591 0.3010 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9643 2.1798 0.3280 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2785 1.4349 0.0898 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8913 1.2467 0.8847 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0346 0.1535 -0.7154 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7944 -0.0361 0.0596 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3027 -0.6800 -0.8707 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4421 -2.8932 0.3943 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4033 -1.9011 -0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8523 -2.2358 0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -3.6132 1.5524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6699 -1.5545 -0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8222 -0.3031 -0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9410 0.2385 0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9008 0.9035 -0.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6795 0.4999 -2.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5919 0.9792 1.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6196 2.6676 -0.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7496 1.2003 1.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0936 1.0076 1.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6589 0.3882 -1.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4313 0.2197 -0.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1655 -3.6474 -0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6816 -0.9992 0.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0839 -0.1244 -1.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -1.4088 -1.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2635 -2.4579 -0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4739 -3.0011 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -1.5038 1.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5015 2.8273 2.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7672 2.4870 -1.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4233 2.1202 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 -2.9219 2.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0608 -4.1013 1.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4938 -4.3880 1.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0874 -0.7611 -0.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9437 -2.2888 -0.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8082 -2.3606 -1.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0009 -1.0429 1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9538 -0.0867 2.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5466 0.5939 -3.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1629 1.1621 2.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 2 19 1 0 0 0 0 3 12 1 0 0 0 0 3 40 1 0 0 0 0 4 13 1 0 0 0 0 4 41 1 0 0 0 0 5 14 1 0 0 0 0 5 42 1 0 0 0 0 6 17 1 0 0 0 0 6 48 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 7 49 1 0 0 0 0 8 23 2 0 0 0 0 8 26 1 0 0 0 0 9 24 1 0 0 0 0 9 27 1 0 0 0 0 9 50 1 0 0 0 0 10 25 1 0 0 0 0 10 26 2 0 0 0 0 11 25 1 0 0 0 0 11 27 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 33 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 156908000 > <PUBCHEM_CONFORMER_RMSD> 1 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 112 48 124 31 49 132 16 114 50 29 106 40 115 55 4 83 93 138 87 38 7 86 5 58 105 84 110 59 133 131 45 109 26 95 66 53 57 62 14 10 72 136 119 120 103 37 6 71 56 94 123 79 51 80 67 117 128 28 73 12 76 77 134 42 46 96 15 121 135 97 111 91 81 61 20 2 85 30 24 3 33 11 98 90 137 65 8 122 69 88 27 9 18 44 107 89 113 116 47 104 99 41 25 102 75 108 127 129 70 78 130 118 19 64 74 35 60 125 39 92 52 17 101 22 13 68 32 23 63 43 100 21 126 34 54 36 82 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 32 1 -0.56 10 -0.57 11 -0.57 12 0.28 13 0.28 14 0.28 15 0.28 16 0.56 17 0.28 19 0.28 2 -0.56 22 0.37 23 0.41 24 -0.15 25 0.48 26 0.47 27 0.04 3 -0.68 4 -0.68 40 0.4 41 0.4 42 0.4 48 0.4 49 0.4 5 -0.68 50 0.27 51 0.15 52 0.15 6 -0.68 7 -0.87 8 -0.62 9 0.03 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 9.2 > <PUBCHEM_PHARMACOPHORE_FEATURES> 19 1 1 acceptor 1 2 acceptor 1 21 hydrophobe 1 3 acceptor 1 3 donor 1 4 acceptor 1 4 donor 1 5 acceptor 1 5 donor 1 6 acceptor 1 6 donor 1 7 donor 1 9 donor 3 7 8 23 cation 3 8 10 26 cation 3 9 11 27 cation 5 9 11 24 25 27 rings 6 1 12 13 14 15 16 rings 6 8 10 23 24 25 26 rings > <PUBCHEM_HEAVY_ATOM_COUNT> 27 > <PUBCHEM_ATOM_DEF_STEREO_COUNT> 6 > <PUBCHEM_ATOM_UDEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_DEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_UDEF_STEREO_COUNT> 0 > <PUBCHEM_ISOTOPIC_ATOM_COUNT> 0 > <PUBCHEM_COMPONENT_COUNT> 1 > <PUBCHEM_CACTVS_TAUTO_COUNT> -1 > <PUBCHEM_CONFORMER_ID> 095A39E000000001 > <PUBCHEM_MMFF94_ENERGY> 62.2781 > <PUBCHEM_FEATURE_SELFOVERLAP> 96.732 > <PUBCHEM_SHAPE_FINGERPRINT> 10 15 17168145654517841261 10319926 262 15936961926085085939 10675989 125 18411699894645273784 11497681 19 18270397334755510551 11796584 16 14333123070248216199 12403259 415 18186521007649689175 12769317 202 18410283705618683395 12788726 201 17346324739630872017 13944108 23 18122059810499021404 14681490 219 18129945580902424865 14840074 17 18342736313206044661 14848178 5 11095887094214076079 14848178 96 18339632438465706833 14950920 106 14345787288268946869 15081414 286 18335140886163995165 15183329 4 16988850474945722509 15274700 147 15446101885756936772 15530120 55 16700880790493211133 20691028 202 18336269028291835277 21033648 29 18188489198283186536 21223535 225 18130228125553072865 21279426 13 18411989078777336438 21315763 87 7925909270568370492 21315764 119 15984829194743603573 21401589 2 18041276660182413483 22122407 14 18196940972921623433 23559900 14 18271248330968929978 2747138 104 17898300652353629243 2748736 6 18340476867617446880 2838139 119 18272370858487545213 3178227 256 18260261911688890226 3459 83 17988932149709504090 376196 1 18269268140054461098 38570 142 18342181055185602663 4046055 4 17465674789411571347 4098825 35 17917715729581094887 437795 51 18409173220829195899 44317340 157 17703506709435378155 5385378 56 18260266304971299354 57035037 87 16415468356165612162 5718773 13 10591501477112495732 57724786 102 18339645645627740316 58902169 19 17632576019989030390 5911458 16 17703242707008607817 59755656 520 18410859858644846959 613672 6 11095884877915954199 633830 44 18342449382882298558 6697151 62 16957565886545558723 9658208 31 18041570234119420242 9689198 14 16877954832275864934 > <PUBCHEM_SHAPE_MULTIPOLES> 495.53 19.39 3.22 1.6 10 1.44 -0.49 -11.94 -3.5 -4.13 1.37 1.73 -0.14 1.35 > <PUBCHEM_SHAPE_SELFOVERLAP> 1035.22 > <PUBCHEM_SHAPE_VOLUME> 277.8 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
Download:
MOL
SDF
3D-SDF
PDB
SMILES
InChI
×
Structure for CDB005014 (Dihydrozeatin-O-glucoside)
