ID: 42652
SMILES:CC(=C1CCC2(C)C(c3c(O)cc(CCCCC)cc3O2)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.274
InChIKey:QNNLFZHYYLNIAP-UHFFFAOYSA-N
ID: 42653
SMILES:c1(O)c(C(O)=O)c2c(c(O)c1)C1C(CCC(C)=CCCC(C)=C2)C(C)(C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -14.813
InChIKey:UJUYOCNULWPQHK-UHFFFAOYSA-N
ID: 42654
SMILES:C(CCCC)c1cc(O)c2c(c1C=O)OC(C)(C)C1C2C=C(C(=O)OC)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -13.417
InChIKey:YOBUIVNAJKUZTH-UHFFFAOYSA-N
ID: 42655
SMILES:Clc1cc2c(cc1OCCCCC)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.914
CB1 binding score: -17.63
InChIKey:NBWUZCMJJKRVHG-UHFFFAOYSA-N
ID: 42656
SMILES:CC(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -19.394
InChIKey:IQDBYPKRWVDTCI-UHFFFAOYSA-N
ID: 42657
SMILES:c1(OC)c(=O)c(C)c(C(C)CC)c2c(c1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.365
InChIKey:ZTTAMYVRWILSMV-UHFFFAOYSA-N
ID: 42658
SMILES:C1C(C)(C)CC2C(C)(Oc3c(c(O)c(C=O)c(CCCCC)c3)C2O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -14.324
InChIKey:FSTHFBHRDZGMCD-UHFFFAOYSA-N
ID: 42659
SMILES:c12cc(CCCCCC)cc(O)c1C1CC(C)(O2)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.354
InChIKey:LOTJAJIHOKJTOT-UHFFFAOYSA-N
ID: 42660
SMILES:Oc1c2c(c(C(=O)C(CC)C)c(O)c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.604
InChIKey:VWTHNNZUPUPSLT-UHFFFAOYSA-N
ID: 42661
SMILES:c1(O)c2c(cc(C)c1)OC(C)(C)c1c-2cc(C(C)C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.383
CB1 binding score: -15.192
InChIKey:YXQRQLQQLQWGIJ-UHFFFAOYSA-N
ID: 42662
SMILES:CC(C=CCC(=CCc1cc(O)cc(C)c1O)C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.746
InChIKey:SAVHMKMRPFLBRI-UHFFFAOYSA-N
ID: 42663
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 42664
SMILES:CC1(C)C2CC3c4c(O)cc(CCCCC)cc4OC2(C)C1C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.483
InChIKey:JJFFNFYEZPVHSS-UHFFFAOYSA-N
ID: 42665
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1(C(C(C)C)=O)C=C(C)C(O)CC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -15.532
InChIKey:PIJFOJPMOSKCLO-UHFFFAOYSA-N
ID: 42666
SMILES:C12=CC(=O)c3c(cc(CCCCC)cc3O)C1(C)CC=C2C1(C)CCC(O)C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -8.508
InChIKey:YLVJNWJQGOMNQT-UHFFFAOYSA-N
ID: 42667
SMILES:c1(CCCCC)cc2c(c(O)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.779
InChIKey:ZSDJPGLYWNHCIW-UHFFFAOYSA-N
ID: 42668
SMILES:C1(C(C)C)C(c2c(O)cc(CCCC)cc2O)C=C(C(O)=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -17.434
InChIKey:HCCJTHXAZDTEFZ-UHFFFAOYSA-N
ID: 42669
SMILES:C(=C(C)C)CCc1cc2c(cc1)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.481
CB1 binding score: -16.854
InChIKey:ZRHWCONNHVAIKA-UHFFFAOYSA-N
ID: 42670
SMILES:C1(C(C)(O)C)C(c2c(O)c(C(O)=O)c(CCCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -20.199
InChIKey:PHDULIYGTSDYKQ-UHFFFAOYSA-N
ID: 42671
SMILES:COc1cc2c3c(c1)OC1(C)CCC(C(C)(C)O3)CC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.568
InChIKey:IZLZWUSNTMYEOK-UHFFFAOYSA-N
ID: 42672
SMILES:C(=O)(OCC(C)=CCc1c(O)cc(CCCCC)cc1O)C=CC(=CC(C=C(C)C)=O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -16.152
InChIKey:KVBXKFMHTZYRDW-UHFFFAOYSA-N