ID: 42673
SMILES:CC1CCC(C)(C(=O)O)C2C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.263
InChIKey:NJWMHQAKFNMOJB-UHFFFAOYSA-N
ID: 42674
SMILES:O1C2(Cc3c(O)c(C(=O)O)c(CCCCC)cc31)C(=C(C)C)CC(C(C)=C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -15.562
InChIKey:RQUAHYPBVGLQLO-UHFFFAOYSA-N
ID: 42675
SMILES:c1(CC=C(CCC=C(C)C)C)c(O)cc(CCCCCC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 314.513
CB1 binding score: -17.334
InChIKey:LEDFMVBKTGJRMR-UHFFFAOYSA-N
ID: 42676
SMILES:Oc1cc(CCCC)cc2c1C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.175
InChIKey:RVWTXSLOGRTPEH-UHFFFAOYSA-N
ID: 42677
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C(C(C)(O)CC1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -18.385
InChIKey:XGBLUBYIKPYOCW-UHFFFAOYSA-N
ID: 42678
SMILES:C(=O)(c1cc(OC)c2c(c1)OC(C)(C)C1CC=C(C)CC21)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -14.798
InChIKey:NCJQSDCHYTZJSF-UHFFFAOYSA-N
ID: 42679
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.723
InChIKey:WKFVIMFNRJVSJG-UHFFFAOYSA-N
ID: 42680
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.944
InChIKey:PXPDKUHGJIMKBA-UHFFFAOYSA-N
ID: 42681
SMILES:C(=O)(C)OCC(C)CCCC1(C)CCc2c(c3c(cc2C)OC(C)(C)C=C3)C(O)C=C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -15.611
InChIKey:WOXQAVZJJUKOLM-UHFFFAOYSA-N
ID: 42682
SMILES:C1(C)=CC(c2c(O)cc(O)cc2CCCCC)C(C)(O)CCC1=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -14.097
InChIKey:HPCFJXZMKHYHAJ-UHFFFAOYSA-N
ID: 42683
SMILES:CC1(C)OC(=O)CC2(c3c4cccc(C)c4c(O)c(O)c3OC(C)(C)C2CC1CC(C)C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -15.929
InChIKey:RFNUHYQFXJWJSJ-UHFFFAOYSA-N
ID: 42684
SMILES:C1c2c(O)cc(CCCCC)c(C(=O)O)c2OC2(C)CCC(C(=C)C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -13.833
InChIKey:OJXUWMYFRMWIJL-UHFFFAOYSA-N
ID: 42685
SMILES:C1(O)C2C(CC(C)=C1)c1c(O)cc(CC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -15.929
InChIKey:MDGKREBSFZYGFC-UHFFFAOYSA-N
ID: 42686
SMILES:c1(CCCC)cc(OC)c(CC2C3(C)CCC(C)(C(C)C(CC=C(C)C)O)C3CC=C2C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.749
CB1 binding score: -18.584
InChIKey:VKXPRFKWBOGOPP-UHFFFAOYSA-N
ID: 42687
SMILES:OC(=O)CCc1cc(CCCCC)cc(O)c1C1CC(C)=CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -11.436
InChIKey:UHCTXACTKMGXAV-UHFFFAOYSA-N
ID: 42688
SMILES:C(C(C)(C)c1ccccc1)c1cc(O)c(C2C=C(CO)CCC2C(C)C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 378.556
CB1 binding score: Not available
InChIKey:ZJHSGKKGKQUGLA-UHFFFAOYSA-N
ID: 42689
SMILES:c1c(CCCCC)cc2c(c1O)OC1(C)CC2C(C(O)(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.588
InChIKey:YDFDAFRDOUGKTA-UHFFFAOYSA-N
ID: 42690
SMILES:CC1(CCC=C(C)C)C=Cc2c(O)c(C(O)=O)c(CCC)cc2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -17.503
InChIKey:OIVPAQDCMDYIIL-UHFFFAOYSA-N
ID: 42691
SMILES:CC1(C)Oc2ccc(C(C)(C)C)cc2C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 216.324
CB1 binding score: -16.391
InChIKey:OTAKFLZAPUQRIL-UHFFFAOYSA-N
ID: 42692
SMILES:C12C(=CC(=O)CC1C)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.533
InChIKey:XRHMBXNTBTVUTP-UHFFFAOYSA-N
ID: 42693
SMILES:CC(=CCc1c(OC)cc(CCCCC)cc1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.49
InChIKey:KASVLYINZPAMNS-UHFFFAOYSA-N