ID: 28414
SMILES:C(C(=O)OCC1=CC2C(C(C)=C)CCC(C)=C2CC1=O)CCCCCCCCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -14.612
InChIKey:ZAHZMEDPQFZDIG-UHFFFAOYSA-N
ID: 28415
SMILES:CC1=CC=C2C(C)(C)Oc3c(c(O)cc(CCCCCC)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.303
InChIKey:SEDJYMNEECLVAI-UHFFFAOYSA-N
ID: 28416
SMILES:C1CC(C(C)=C)C(c2c(O)cc(CCCCC(O)=O)cc2)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.943
InChIKey:AGOXUOVIVWXHAN-UHFFFAOYSA-N
ID: 28417
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -19.296
InChIKey:GEMPDHCIWOATES-UHFFFAOYSA-N
ID: 28418
SMILES:C(CCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(CCCCC)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -10.677
InChIKey:OPTABVBYWMUKHU-UHFFFAOYSA-N
ID: 28419
SMILES:C1(C)(N=CO)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 343.467
CB1 binding score: -15.857
InChIKey:LXDKPFOOIVZGLF-UHFFFAOYSA-N
ID: 28420
SMILES:c12c(c(O)cc(CCC)c1)C=CC(CCC=C(C)C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.334
InChIKey:AAXZFUQLLRMVOG-UHFFFAOYSA-N
ID: 28421
SMILES:C(C12c3c(cc(CCC)cc3O)OC(CCC1)C2)(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.305
InChIKey:CYEZDFRVFOSWQK-UHFFFAOYSA-N
ID: 28422
SMILES:C1(=O)OC2(c3c(O)cc(CCCCC)cc3OC2C)C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -13.128
InChIKey:DLZSBYFATAVECO-UHFFFAOYSA-N
ID: 28423
SMILES:c1(CCCCC)cc2c(c(O)c1C(=O)C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -16.502
InChIKey:KACOWSFEWXFLRR-UHFFFAOYSA-N
ID: 28424
SMILES:C1CC2(C(C)(C)C(Br)C(O)CC2=C)Oc2c1c(O)cc(CCC)c2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 395.337
CB1 binding score: -15.929
InChIKey:ZXYMNZIUXOWWHH-UHFFFAOYSA-N
ID: 28425
SMILES:c1(OC)c(CCCC)cc2c(c1OC(C)=O)OC(C)(C)C1CSCC(=CC2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.572
CB1 binding score: -15.819
InChIKey:ICHGGPYWRFCUHO-UHFFFAOYSA-N
ID: 28426
SMILES:C12CC3(C)C(=CCc4c(C)c(O)c(C(CC(C)C)O)cc4O3)C=C(C)C1CC(C(=C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.636
CB1 binding score: -11.457
InChIKey:DUOPCSMRSMLJBF-UHFFFAOYSA-N
ID: 28427
SMILES:C1(C(C)C)=CC2c3c(O)cc(CCC)cc3OC(C)(CCC1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.415
InChIKey:KTGKXHYSEPZFRT-UHFFFAOYSA-N
ID: 28428
SMILES:O=S(=O)(O)Oc1c2c(c(C(CCC)=O)c(O)c1C=O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.498
CB1 binding score: -14.952
InChIKey:DDYRGTYEGGGEGQ-UHFFFAOYSA-N
ID: 28429
SMILES:C1(CCC(=C)C)C(C)(C)Oc2cc(CCCCC)c(C(=O)OC)c(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -13.967
InChIKey:ACLBQBHKIZGQGZ-UHFFFAOYSA-N
ID: 28430
SMILES:c1(C)c(Cl)c(Cl)c2c3c1OC(C)(C)C(CCC3=C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 297.225
CB1 binding score: -17.036
InChIKey:LAAVGHZPJIDOPB-UHFFFAOYSA-N
ID: 28431
SMILES:C(C1=CC2C(C(C)(C)Oc3cc(CCc4ccccc4)c(O)c(C=O)c32)CC1)CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.615
CB1 binding score: -16.166
InChIKey:JFHHYSPFXUJQCY-UHFFFAOYSA-N
ID: 28432
SMILES:OC1C(C(=O)O)=CC2C(CC1)C(C)(C)Oc1cc(C(C)C)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -14.503
InChIKey:TUMUBHSSJKTAAF-UHFFFAOYSA-N
ID: 28433
SMILES:CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 28434
SMILES:C1(CC=C(C)C)C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -17.191
InChIKey:MGLWJJVAJQPDLK-UHFFFAOYSA-N