ID: 32173
SMILES:c1(C=O)cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -19.395
InChIKey:VTKCSOVWESGERA-UHFFFAOYSA-N
ID: 32174
SMILES:C1(C(=C)C)CCC(C)=CC1c1c(O)ccc(CC[N+](=O)O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.394
CB1 binding score: -16.131
InChIKey:LIIZTOVNFXHCOQ-UHFFFAOYSA-O
ID: 32175
SMILES:c1c(C2C=C(C)CCC2C(=C)C)c(OC)c2c(c1O)CN(CCc1ccccc1)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 403.566
CB1 binding score: -16.09
InChIKey:VTFXQYBUWGOKBU-UHFFFAOYSA-N
ID: 32176
SMILES:c1(C(O)=O)ccc(CC=C(C)CCC=C(C)C)c2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -18.262
InChIKey:SHUYWOSCAPIOPO-UHFFFAOYSA-N
ID: 32177
SMILES:CC1(C)Oc2c(ccc(CCCCC)c2)-c2c1c(C)ccc2CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 322.492
CB1 binding score: -12.197
InChIKey:SUFVOPYRLNDEOB-UHFFFAOYSA-N
ID: 32178
SMILES:C1CC2(C)CC1c1c(c(CCCCC)cc(O)c1)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -14.414
InChIKey:BJIXCRKBBFDGCB-UHFFFAOYSA-N
ID: 32179
SMILES:CNCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 301.43
CB1 binding score: -15.138
InChIKey:WJRQFZPGXVOWCB-UHFFFAOYSA-N
ID: 32180
SMILES:CC1(C)OC(C)(C)C(C(CCc2ccc(CCCC)cc2)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.556
CB1 binding score: -15.889
InChIKey:TZMJXQIWPDAWFH-UHFFFAOYSA-N
ID: 32181
SMILES:CC1(C)Oc2c(c(O)cc(CC)c2)C2CC(C(C)=C)CCC(C)=CCCC12O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -12.964
InChIKey:UWUQCRBLSICPAX-UHFFFAOYSA-N
ID: 32182
SMILES:c1(O)c2c(cc(C(C(C)C)C(=O)C)c1)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -12.819
InChIKey:GWLNIPXZJVYZJP-UHFFFAOYSA-N
ID: 32183
SMILES:C(O)C1=C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -18.85
InChIKey:HEKBRNVOAQDYDY-UHFFFAOYSA-N
ID: 32184
SMILES:C(=C(C)CCC=C(C)C)Cc1c(O)cc(CC(O)C(C)CCCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.619
CB1 binding score: -13.197
InChIKey:FFJYZIOWXFNUGB-UHFFFAOYSA-N
ID: 32185
SMILES:C=C(CCc1c(O)cc(C2C=C(C)CCC2C(=C)C)c(O)c1)C=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -14.956
InChIKey:OSZZAKAJDKMZEX-UHFFFAOYSA-N
ID: 32186
SMILES:O(C(=O)c1c(CCCCC)cc2c(c1O)C1C=C(C)CCC1C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -18.882
InChIKey:PZGQMCZVNQZFFP-UHFFFAOYSA-N
ID: 32187
SMILES:c1(O)c2c(cc(CCC)c1)OC(C)(C)C1C2C=C(COC(C)=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.334
InChIKey:CHKVNLMXPHANJK-UHFFFAOYSA-N
ID: 32188
SMILES:C1=C(C)CC2c3c(O)cc(C)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.619
InChIKey:MMZAEMNNHWYQKW-UHFFFAOYSA-N
ID: 32189
SMILES:C(C)(CCC=C(C)CCC=C(C)C)=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -19.427
InChIKey:VVBVATXKSUVSTB-UHFFFAOYSA-N
ID: 32190
SMILES:O=C(O)CNC(=O)c1ccc2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 329.396
CB1 binding score: -16.608
InChIKey:JGJUXACONYLIPI-UHFFFAOYSA-N
ID: 32191
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)-c2cc(O)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -16.807
InChIKey:NKRLFRROTIRYCS-UHFFFAOYSA-N
ID: 32192
SMILES:C1(c2c(O)cc(C(C)C(CCCCCCCC)O)cc2O)(C(C)=C)CC(C)=CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -17.095
InChIKey:CMRIRNKQHWCXRQ-UHFFFAOYSA-N
ID: 32193
SMILES:C12(c3c(cc(CCCCC)cc3O)OC1=O)C=CC(CCCCCC)=CC2C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -14.565
InChIKey:RPOULOCXJOUZDS-UHFFFAOYSA-N