ID: 19321
SMILES:C12c3c(cc(CCCCC)cc3O)OC(C)(C)C1CCC(C)(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 19322
SMILES:C1(C(=C)C)C(c2c(OC)ccc(CC[N+](O)(C)C)c2)C=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.465
CB1 binding score: -14.503
InChIKey:QEBXVNROMAGAFT-UHFFFAOYSA-N
ID: 19323
SMILES:c1(OC)cc2c(cc1CCCCC)OC1(C)CC2C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.929
InChIKey:SDKAOPIHPLMXGR-UHFFFAOYSA-N
ID: 19324
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1C(C(C)(O)CO2)CCC(C)(OC)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.537
CB1 binding score: -13.225
InChIKey:XDMNQUJTHYNHHY-UHFFFAOYSA-N
ID: 19325
SMILES:c1(CCCCC)c(O)c(C2C=C(C=C)CCC2C(C)=C)c(O)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -12.491
InChIKey:LQUSPWJXMODHBS-UHFFFAOYSA-N
ID: 19326
SMILES:CC12CCC(C(C)C)C1C=C(C)c1c(O)cc(CCCCC)cc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.524
CB1 binding score: -14.289
InChIKey:VHQDTTCLUMBQSD-UHFFFAOYSA-N
ID: 19327
SMILES:C(C(c1cc2c(c(O)c1)C1=C(C(C)(C)CCC1)C=CC(C)(C)O2)CCC(O)C(C)=C)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.652
CB1 binding score: -13.954
InChIKey:MCUIKDSDFQLUFE-UHFFFAOYSA-N
ID: 19328
SMILES:C1=C(C)CCC(C(=C)C)C1c1c(O)cccc1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -18.764
InChIKey:VCTOYXGKNMVKJN-UHFFFAOYSA-N
ID: 19329
SMILES:c1(CCCCCC)cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)=CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -15.157
InChIKey:XLZMZFLEWONORC-UHFFFAOYSA-N
ID: 19330
SMILES:C(CCC)=CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.326
InChIKey:XHJYWZMXWDUJQW-UHFFFAOYSA-N
ID: 19331
SMILES:C1C2(C)Oc3c(c(OC)cc(CCCCC)c3)C3C2C(C=C(C)C(OC(C)=O)C1)C(C(C)C)CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.705
CB1 binding score: Not available
InChIKey:UWBIWWNIPUCNEL-UHFFFAOYSA-N
ID: 19332
SMILES:c1(C=CC(=O)C(C)C)c(O)cc(O)c2c1OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -15.707
InChIKey:NDUCSDDNLQPTSG-UHFFFAOYSA-N
ID: 19333
SMILES:C1C(C)C2C(c3c(O)cc(CCCCC)cc3O2)C(C(C)C)C1OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -16.419
InChIKey:NFPQZHLZGNGJJB-UHFFFAOYSA-N
ID: 19334
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -19.932
InChIKey:YRIJETKCLFDWJX-UHFFFAOYSA-N
ID: 19335
SMILES:C1CC(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 19336
SMILES:CC(=C)C1CCC(C)C2C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.825
InChIKey:ZOQOWBOVOPMLPU-UHFFFAOYSA-N
ID: 19337
SMILES:C1C2C(CC=C1C)C(C)(C)Oc1c-2c(O)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -16.254
InChIKey:XGGDUIGJWBZGBD-UHFFFAOYSA-N
ID: 19338
SMILES:O=C(CC(C)C)c1c(O)c2c(cc1C(C)C)OC(C)(C)C1C2C=C(C(=O)O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -14.392
InChIKey:AHXLRRWWBTTWIK-UHFFFAOYSA-N
ID: 19339
SMILES:C12(C)Oc3c(c(O)cc(CCCC)c3)C(O)C1C(C)(CCC(=O)OC)C(C(C)=C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -11.498
InChIKey:PSIPAFLCTPDBTA-UHFFFAOYSA-N
ID: 19340
SMILES:C1CC(C)C2(Oc3c(c(OC)cc(CCCC)c3)C2O)C2CCC(C)=CC12C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -16.135
InChIKey:KOCLEHFALRCULK-UHFFFAOYSA-N
ID: 19341
SMILES:CC1(C=CCC(C)(O)C)Oc2c(c(O)cc(CCCCC)c2)CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -15.556
InChIKey:IRARQYJHQQSQHH-UHFFFAOYSA-N