ID: 42862
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 42863
SMILES:C1(=O)C(C(C(=O)C=CC(C)(O)C)C)=C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -15.496
InChIKey:MFOSPQIHOSGLHU-UHFFFAOYSA-N
ID: 42864
SMILES:C1CC(CCC=C(C)C)(C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.791
InChIKey:ORKZJYDOERTGKY-UHFFFAOYSA-N
ID: 42865
SMILES:CC=C(C(OC1C(C(OC)=O)=CCCC2(C)OC2C2C1c1c(O)cc(CCCCC)cc1O2)=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.589
CB1 binding score: -12.295
InChIKey:BLHJWMPBWPNHJN-UHFFFAOYSA-N
ID: 42866
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C34CC=C(CO)C(CC31)C(CO)(C)C4CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.651
CB1 binding score: -15.397
InChIKey:JQACZIGSZFEHHE-UHFFFAOYSA-N
ID: 42867
SMILES:CC1(C)Oc2c(OC(=O)C)cc(CCCCC)cc2C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.735
InChIKey:YMITWMHEPLYRRH-UHFFFAOYSA-N
ID: 42868
SMILES:C1(=O)c2c(cc(CCC)cc2O)OC(C)(CCC=C(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.427
InChIKey:UICJWNGMMYLYIP-UHFFFAOYSA-N
ID: 42869
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)c(C(C(CC)C)=O)c(O)c3CCC)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -14.462
InChIKey:VGAIOUPAWUKLCL-UHFFFAOYSA-N
ID: 42870
SMILES:C12C(C)(CCC3(C)CC(=O)C(C(C)C)=C13)Oc1c(c(O)cc(CCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -14.61
InChIKey:NDSGCZUCOOEYSY-UHFFFAOYSA-N
ID: 42871
SMILES:C(C)(=CCCC(=CCc1c(CC2=CC(c3c(O)cc(O)cc3CCCCC)C(C(C)C)CC2)C=C(C)C(O)C1)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 560.863
CB1 binding score: -14.886
InChIKey:DQQZXUYXXRKDHK-UHFFFAOYSA-N
ID: 42872
SMILES:CC=C(C)C(c1c(O)cc2c(c1O)C=CC(CCC=C(C)C)(C)O2)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.656
InChIKey:JPGQJGYOIZXYEA-UHFFFAOYSA-N
ID: 42873
SMILES:C1C2C(CC(=O)C(C)=C1)C(C)(C)Oc1c2cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.345
CB1 binding score: -15.372
InChIKey:JFRKLBWHDNQAHR-UHFFFAOYSA-N
ID: 42874
SMILES:CC1CCC(C(C)=C)C(c2c(OC)ccc(CCCCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.513
CB1 binding score: -17.296
InChIKey:ZQWQVIXUFDXRLV-UHFFFAOYSA-N
ID: 42875
SMILES:C(CC=C(C)C)=C(C)c1c(O)c(OC(=O)C)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.439
InChIKey:CKABACPILHXYAW-UHFFFAOYSA-N
ID: 42876
SMILES:C(C(=CCCC(C)=CCc1c(O)cc(CCCCC)cc1O)C)(=O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.4
InChIKey:HQTQZSXBTRCXGB-UHFFFAOYSA-N
ID: 42877
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 42878
SMILES:C1(C(=C)C)C(c2c(O)cc(CCCCCO)cc2O)CC(C)=C2C1(C)CC(O)C(CO)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -11.942
InChIKey:NUPRVYJBTZCOFH-UHFFFAOYSA-N
ID: 42879
SMILES:CC(C)C1CCC(=C)C2OC3(C)C(CC2)Oc2c(c(O)cc(CCCCC)c2)C31
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.287
InChIKey:WRXMHPRBUZZJGL-UHFFFAOYSA-N
ID: 42880
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 42881
SMILES:CC1(C)Oc2cc(CCCCC)cc(OC)c2C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 42882
SMILES:C1C(C)=CC2C(C(C)(C)Oc3c2c(OC(C)=O)cc(O)c3C(CCC)C=C)CC2CCC(COC(C)=O)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 536.709
CB1 binding score: -15.033
InChIKey:AQXJWSBHBACRRV-UHFFFAOYSA-N