ID: 110020
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1[CH]CC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.461
CB1 binding score: -16.917
InChIKey:POSWWCPXZFQENF-UHFFFAOYSA-N
ID: 110021
SMILES:CC1(C)Oc2ccc(CCCCC)cc2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 232.367
CB1 binding score: -18.334
InChIKey:QKSYBZPKMYICHD-UHFFFAOYSA-N
ID: 110022
SMILES:c1cc(C2C(C(C)=C)CCC(C)=C2)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.81
InChIKey:RLNFSWIFLYYPPU-UHFFFAOYSA-N
ID: 110023
SMILES:C1C2C(CC=C1C)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 110024
SMILES:CC(c1ccc2c(c1)OC(C)(C)C1=CCC(C)(O)C2C(O)C1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.929
InChIKey:FYPUWXXHPNSZIE-UHFFFAOYSA-N
ID: 110025
SMILES:OC1CCC2C(C)(C)Oc3c(c(O)cc(C)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -15.288
InChIKey:JAKFWEBYCHRWEL-UHFFFAOYSA-N
ID: 110026
SMILES:c12c(c(C)cc(O)c1OC)-c1c(ccc(CCCCC)c1)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -16.213
InChIKey:UNWUWQJCPQKSKP-UHFFFAOYSA-N
ID: 110027
SMILES:C12C(CC(CO)CC1)c1c(O)cc(CCCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -16.425
InChIKey:DRFBNSJAUHDGLM-UHFFFAOYSA-N
ID: 110028
SMILES:c12cc(OC(CCCCCCCCCCCCCCC)=O)cc(C)c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.776
CB1 binding score: -15.306
InChIKey:YQDTYPVTEDLKDT-UHFFFAOYSA-N
ID: 110029
SMILES:C(c1c(O)cc2c(c1)OC(C)(C)C1C2CC(C)=CC1)#C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 268.356
CB1 binding score: -15.519
InChIKey:JNJBCJFJCJJCGL-UHFFFAOYSA-N
ID: 110030
SMILES:c12c(cc(CCCCC)cc1OC)OC(C)(C)c1c-2cc(C)c2c1C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.556
CB1 binding score: -15.184
InChIKey:HKKQUUSJEITYNK-UHFFFAOYSA-N
ID: 110031
SMILES:C1C(C(=C)C)C(c2c(O)c(CCC)cc(O)c2)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.559
InChIKey:UNKCBUFGTIWVPT-UHFFFAOYSA-N
ID: 110032
SMILES:c1(OC)cc2c(cc1O)-c1c(ccc(CCCCC)c1)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -14.97
InChIKey:AHZCPOBJFBWEHN-UHFFFAOYSA-N
ID: 110033
SMILES:C12Oc3c(c(O)cc(CCCCC)c3)C1C=C(C)C(CC=C(CCC=C(C)C)C)(C=CC(C)(C)O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.716
CB1 binding score: -14.656
InChIKey:AVBNXYFGJGZGLJ-UHFFFAOYSA-N
ID: 110034
SMILES:C1CC(C(=C)C)C(c2cccc(CCCOC)c2)C=C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -15.019
InChIKey:OCIFFSIZDVNQBV-UHFFFAOYSA-N
ID: 110035
SMILES:C12C(C)(C)Oc3cc4c(c(O)c3C1C=C(C)CCC=C(C)CC2)C(=O)OCC4
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: Not available
InChIKey:FKSFOOKDJVHWSW-UHFFFAOYSA-N
ID: 110036
SMILES:C12C(c3c(O)cc(CCCCC)cc3OC1(C)C)C(C)(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -13.031
InChIKey:KKNAARAXNIZSSI-UHFFFAOYSA-N
ID: 110037
SMILES:C1CC2C(C)(C)C2C2C(C1=C)c1c(O)cc(CCCCC)cc1OC(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -15.929
InChIKey:BGFDGXFYMZXLGE-UHFFFAOYSA-N
ID: 110038
SMILES:C(#CC1(C)C(O)CC(C(C)C)C(O)c2c1cc(CCCCC)cc2O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -12.777
InChIKey:BYUBNNBYIXXQQP-UHFFFAOYSA-N
ID: 110039
SMILES:COc1c(CC=C(C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.393
CB1 binding score: -19.169
InChIKey:FCNLMUQPSJEBQE-UHFFFAOYSA-N
ID: 110040
SMILES:O1c2cc(CCCCC)cc(OC)c2C2(C)CC(O)CC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.258
InChIKey:XKEBNAMLHQLWBW-UHFFFAOYSA-N