ID: 77428
SMILES:O1C2C3C(COC3)(C1)C1C(c3c(O)cc(CCCCC)cc3OC2COC(=O)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.541
CB1 binding score: -16.3
InChIKey:MYFZRZLCTWMJMQ-UHFFFAOYSA-N
ID: 77429
SMILES:C(CCCCCCCC)C(=O)Cc1cc(C2C=C(C)CCC2C(=C)C)c(O)c(=O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.625
CB1 binding score: -11.811
InChIKey:HAYMOBVLLXILAR-UHFFFAOYSA-N
ID: 77430
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 77431
SMILES:C(CC(c1c(C(O)=O)ccc2c1OC(C)(C)C1CCC(C)=CC12)C)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -14.316
InChIKey:GFFHMMIGFXRUEZ-UHFFFAOYSA-N
ID: 77432
SMILES:C1CC(=C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.089
InChIKey:MXHIJQHAYHJSTF-UHFFFAOYSA-N
ID: 77433
SMILES:C(C)CCCCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -18.687
InChIKey:RGXKCMQANRHRCO-UHFFFAOYSA-N
ID: 77434
SMILES:C1C(c2c(O)cc(CCCCC)cc2O)OC(C)(C)C1C1OC(C)(C)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -16.724
InChIKey:OQKYLQAGUIIHQU-UHFFFAOYSA-N
ID: 77435
SMILES:C(=O)(C)c1c(O)c(C)c(O)c2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -12.746
InChIKey:BCWYYYSQNWDRLR-UHFFFAOYSA-N
ID: 77436
SMILES:CC1(C)Oc2cc(CCC)cc(O)c2C2CC(C)=CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.805
InChIKey:CDBDULHNWQRYSY-UHFFFAOYSA-N
ID: 77437
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1=CCC(C)=CC12)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.053
InChIKey:LAGIKAJVAPPGEG-UHFFFAOYSA-N
ID: 77438
SMILES:C(C)(CCCc1cc2c(c(O)c1)C1C(CCC(CO)=C1)C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.521
InChIKey:FKSVUMDNCLWOHB-UHFFFAOYSA-N
ID: 77439
SMILES:C1C(C(C)CCC(C(C)(O)C)O)(C)Oc2cc(C)cc(O)c2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 322.445
CB1 binding score: -12.135
InChIKey:DBFMHQFCFOQOFG-UHFFFAOYSA-N
ID: 77440
SMILES:C(CCC(CC)C(C)=C)(=CC(O)CC(COC(=O)C)=CCc1cc(O)c(C)cc1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -14.299
InChIKey:DETLRYIMGSTDHK-UHFFFAOYSA-N
ID: 77441
SMILES:C12(C)c3c(c(C=O)c(CCCCC)cc3O)OC(C)(C)C1CC=C(C)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.013
InChIKey:IQJKFWNPYJBABP-UHFFFAOYSA-N
ID: 77442
SMILES:CC(C)=CCc1c(O)c(O)c(C(=O)CCCCC)c2c1OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -15.647
InChIKey:KECBUZKTKUUHFA-UHFFFAOYSA-N
ID: 77443
SMILES:C1C2c3c(c(C)c(C)cc3O)OC(C)(C)C2CCC1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -17.24
InChIKey:WWLQNYUPFRCTFD-UHFFFAOYSA-N
ID: 77444
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CCc1ccc2c(c1)C(=O)C1C(O)(C(CC)C3C1C(=O)C(C)(C3=O)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 640.817
CB1 binding score: -17.289
InChIKey:CVJSCIDTKCZHSU-UHFFFAOYSA-N
ID: 77445
SMILES:CC(CCCC(C)(O)C)CCC1(O)c2c(c(=O)c3ccccc31)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.662
CB1 binding score: -14.051
InChIKey:XGRKLSDUVFPJSH-UHFFFAOYSA-N
ID: 77446
SMILES:C12C(C)=CCC13C(C)(C)Oc1cc(O)cc(C)c1C3C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.372
CB1 binding score: -16.233
InChIKey:WRMCQRDZMHWMRS-UHFFFAOYSA-N
ID: 77447
SMILES:c12c(cc(CCCCC)cc1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.189
InChIKey:AIOSXAOKGBOYPS-UHFFFAOYSA-N
ID: 77448
SMILES:C1(C)=CC2=C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -20.728
InChIKey:RECLSNODOVFMMU-UHFFFAOYSA-N