ID: 36436
SMILES:C(CC)CCCc1cc2c(c(O)c1)C1C(CC(C(=C)C)O1)C(C)=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -15.47
InChIKey:LIAAWUKWRTWJKO-UHFFFAOYSA-N
ID: 36437
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(C)(O)CCC1C(=C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.142
InChIKey:RBEAVAMWZAJWOI-UHFFFAOYSA-N
ID: 36438
SMILES:C1(C)(C)C2(OC(C)=O)C(CC1)c1c(cc(CCCCC)cc1O)OC2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -14.136
InChIKey:QCZYDTWPLPOSAN-UHFFFAOYSA-N
ID: 36439
SMILES:Oc1c(C)cc(O)c2c1C(=O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -16.768
InChIKey:PKYASQPCHUGHIS-UHFFFAOYSA-N
ID: 36440
SMILES:CC1(C)Oc2c(c(OC(C)=O)cc(C)c2)C2C=C(C)CC(O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -11.814
InChIKey:JVZNDAYWSXPHHK-UHFFFAOYSA-N
ID: 36441
SMILES:Cc1c2c(ccc1)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -17.926
InChIKey:JUYGZFFPQIBMLX-UHFFFAOYSA-N
ID: 36442
SMILES:C1(=O)OC2C(C(C(=C)C)c3c(cc(CCC(OC(C)=O)C)cc3O)O2)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.406
CB1 binding score: -16.146
InChIKey:DXQQAOBLNJJRAT-UHFFFAOYSA-N
ID: 36443
SMILES:CC1=CCC2C(C1)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 36444
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)C(=O)C12O)=CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -16.232
InChIKey:HSJGXCHENKYDHH-UHFFFAOYSA-N
ID: 36445
SMILES:C(Cc1cc(O)c2c(c1CC(C(C)(O)C)O)OC(C)(C)C1CCC(C(O)=O)=C1C2)(=O)C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.551
CB1 binding score: -13.881
InChIKey:QWXUNVJUQNYPSV-UHFFFAOYSA-N
ID: 36446
SMILES:C1C(C)=CC(c2ccc(CCCCC)cc2)C(C(O)(CO)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.211
InChIKey:IFVIOJVZRCYUQV-UHFFFAOYSA-N
ID: 36447
SMILES:C1CC2(C)CC3c4c(O)cc(CCC)cc4OC1(C)C3CC(C(C)=C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -15.285
InChIKey:RDEDYILYCYRVDP-UHFFFAOYSA-N
ID: 36448
SMILES:C1C(Br)C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 341.289
CB1 binding score: -16.91
InChIKey:CSKRZAVWCFZUPB-UHFFFAOYSA-N
ID: 36449
SMILES:Oc1c(O)c(C)cc2c1C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -18.537
InChIKey:DMDIPVCEWDWPLQ-UHFFFAOYSA-N
ID: 36450
SMILES:C1(=C)C=C2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -18.44
InChIKey:KJWARAZFZUTBKD-UHFFFAOYSA-N
ID: 36451
SMILES:C1=C(C)CCC2C1c1c(cc(CCCCC)c(C(=O)OC)c1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -18.882
InChIKey:PZGQMCZVNQZFFP-UHFFFAOYSA-N
ID: 36452
SMILES:OC(CC(c1cc(O)c(C2C=C(C)C(O)CC2C(=C)C)c(O)c1)=O)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.422
CB1 binding score: -14.272
InChIKey:BKBUAXVHNHKNNU-UHFFFAOYSA-N
ID: 36453
SMILES:CC(=CC1c2c(cc(CCCCC)c(C(=O)O)c2O)OC(C)(C)C1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -14.879
InChIKey:VNBQDHUHDJRUJU-UHFFFAOYSA-N
ID: 36454
SMILES:CC1(C)C2C3Oc4c(c(O)cc(CCCCC)c4)C13C(O)=C(C)C2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -13.633
InChIKey:BQDPWYRTMNWJFQ-UHFFFAOYSA-N
ID: 36455
SMILES:c12cc(CCCCC)ccc1C1C(C(C)(CCC3C(C)(C)O3)O2)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -12.626
InChIKey:XOGYRNPWVMKYCI-UHFFFAOYSA-N
ID: 36456
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1C(O2)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.801
InChIKey:NSDOSVJJRXZCDP-UHFFFAOYSA-N