ID: 96034
SMILES:C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.792
InChIKey:UGRLMQVLYLFVDE-UHFFFAOYSA-N
ID: 96035
SMILES:C(CC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.175
InChIKey:RVWTXSLOGRTPEH-UHFFFAOYSA-N
ID: 96036
SMILES:C1(C(C)C)C(c2c(O)cc(CCCC)cc2O)C=C(C)C(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.851
InChIKey:QFCHZSZOHXGORW-UHFFFAOYSA-N
ID: 96037
SMILES:C(=C(C)CCC=C(CO)C)CCC(C)=CCc1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 372.549
CB1 binding score: -17.023
InChIKey:KMRKHDLBUSYYII-UHFFFAOYSA-N
ID: 96038
SMILES:C1(C(C)=C)CCC(C)=CC1c1c(OC)cc(O)cc1C=C(CC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -12.821
InChIKey:UOWXVKRPWFBZLQ-UHFFFAOYSA-N
ID: 96039
SMILES:c1c(C)cc(O)c2c1-c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -18.696
InChIKey:WNKDAZLOXAUXJL-UHFFFAOYSA-N
ID: 96040
SMILES:O(C(=O)C)C(C12C(O1)C=C(C)CCC1C(C)(C)OC(=O)CC1C(C)=CC2=O)(C)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.53
CB1 binding score: -15.508
InChIKey:JZNKCKBKSDYQCR-UHFFFAOYSA-N
ID: 96041
SMILES:C1C(C)(C)C2CC(O)C(C)=CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.037
InChIKey:GARZVDDZIWZZEY-UHFFFAOYSA-N
ID: 96042
SMILES:Oc1c(C(CCCC)O)c(O)c2c(c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.3
InChIKey:ORROCRNFVQHMMU-UHFFFAOYSA-N
ID: 96043
SMILES:CC(=C)C1CCC(c2c(O)c(CCC)cc(OC)c2O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.313
InChIKey:SHHVBJFOIXNDGY-UHFFFAOYSA-N
ID: 96044
SMILES:C1(=C)CC2C(OC(=O)C)C1c1c(O)cc(CCCC[N+](C)(C)C)cc1OC21CC2CC(C(O)(C)C)OC2CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 542.737
CB1 binding score: -15.074
InChIKey:ROKZLMVRPZFREE-UHFFFAOYSA-O
ID: 96045
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(CCCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 96046
SMILES:C1(C)(CCCC(C)(CCc2c(O)ccc(O)c2)O)CCC(O)C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.498
CB1 binding score: -17.069
InChIKey:WYQUMRYKSVJGBL-UHFFFAOYSA-N
ID: 96047
SMILES:C(=O)(C(C(C)C)c1c(C2C(O)C(=O)OC2(C)O)c(C(=O)C(C)C)c2c(c1)C1C(C(C)(C)O2)CC=C(C)C1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 540.697
CB1 binding score: -15.278
InChIKey:BRKZOJQDNJNNSG-UHFFFAOYSA-N
ID: 96048
SMILES:CNCc1cc(O)c2c(c1)OC(C)(C)C1CCC(=C)C(O)C21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 303.402
CB1 binding score: -13.522
InChIKey:KIZWPYXCLHBAPR-UHFFFAOYSA-N
ID: 96049
SMILES:COc1c2c(c(C(C=C)(C)CCC=C(C)C)c(O)c1)OC(C)(C)C1CCC(C)(O)C(O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -12.289
InChIKey:IPLOUPFUXLMELG-UHFFFAOYSA-N
ID: 96050
SMILES:Oc1c(CC=C(C)C)c2c(cc1)OC(C)(C)C1=CCC(C)(O)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -13.512
InChIKey:GDQRBLPYAORHPB-UHFFFAOYSA-N
ID: 96051
SMILES:O=P(OCc1c(C(=O)O)cc(C2C(C(=C)C)CCC(C)=C2)c(O)c1)CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.377
CB1 binding score: -15.552
InChIKey:QGYKFZHKYBSJGS-UHFFFAOYSA-N
ID: 96052
SMILES:O1c2cc(CCCCCO)cc(O)c2CC(C(C)=C)CCC(C)=CCC(O)C1=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -15.286
InChIKey:IYDDLBLVLLVZHM-UHFFFAOYSA-N
ID: 96053
SMILES:C(C(C(=O)c1c2c(c(O)cc1O)CC1C(C)(O)CCC1C(C)(C)O2)CCCCC)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.628
CB1 binding score: -14.18
InChIKey:BDLGISYGVLGWMX-UHFFFAOYSA-N
ID: 96054
SMILES:c1(CCCC)ccc(O)c(C2C=C(CCC=C(C)CCC=C(C)C)CCC2C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.642
CB1 binding score: -12.53
InChIKey:MKEYANJESKJLOP-UHFFFAOYSA-N