ID: 6028
SMILES:CC(C)CC(=O)c1cc(O)c(C2C=C(C)CCC2C(=C)C)cc1CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.046
InChIKey:UPUQOBQJGLXQQJ-UHFFFAOYSA-N
ID: 6029
SMILES:C1(C(C)=C)CCC(C)=CC1c1ccc(CCCCC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 6030
SMILES:CC1=CC2C(C(C)(C)Oc3c4c(cc(O)c32)C(=O)NC4N)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.385
CB1 binding score: -15.374
InChIKey:HIHXAJFTNTVKJS-UHFFFAOYSA-N
ID: 6031
SMILES:C1=C(C)Oc2c(c(O)cc(CCCC)c2)C(CC(=O)C=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -14.867
InChIKey:AFCIOVVKRVMGRO-UHFFFAOYSA-N
ID: 6032
SMILES:C(C(C)C)CC(c1c(O)c2c(cc1OC)OC(C)(C)C1C2CC(C)=CC1)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -17.704
InChIKey:ZLCNELCUCCDTNY-UHFFFAOYSA-N
ID: 6033
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 6034
SMILES:C(O)C1=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)c(C(=O)O)cc12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.425
InChIKey:DJBXWFPSTMBXNC-UHFFFAOYSA-N
ID: 6035
SMILES:OC1Oc2cc(C)cc(O)c2C2CC(C)=CCC2C1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -15.587
InChIKey:GQVCREODAJBFFH-UHFFFAOYSA-N
ID: 6036
SMILES:CC(C)C1C2C=C(C)CCC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.841
InChIKey:BVDKQYDFJAUPKS-UHFFFAOYSA-N
ID: 6037
SMILES:CC1(C)C2C3(c4c(cc(CCCCC)cc4O)OC2C(CC)CC3)CCC1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -15.358
InChIKey:NHHTVVZFBYYPHW-UHFFFAOYSA-N
ID: 6038
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.175
InChIKey:RVWTXSLOGRTPEH-UHFFFAOYSA-N
ID: 6039
SMILES:c1(CCCCCC)cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -20.649
InChIKey:ZHYPKENABBMAAN-UHFFFAOYSA-N
ID: 6040
SMILES:C1C(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 6041
SMILES:C1C(O)C2C(C)(CCCC2(C)C)Oc2c1c(OC)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -14.638
InChIKey:HAJUCACNMXHNPI-UHFFFAOYSA-N
ID: 6042
SMILES:C(CCC)CCCCc1cc2c(c(O)c1C=O)CC1(O2)OC(C)(CCC=C(C)C)C2C1C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.716
CB1 binding score: -13.265
InChIKey:VPPZSFYNBVPGGO-UHFFFAOYSA-N
ID: 6043
SMILES:CC1=CC2c3c(O)cc(C)cc3OC(C(O)(C)C2O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -13.713
InChIKey:ZNRRZNRSORGMBW-UHFFFAOYSA-N
ID: 6044
SMILES:C1C=CC(C)(CC=C(C)CCC=C(C)C)Oc2cc(CCCCC)c(O)c(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -17.121
InChIKey:RYIIKGALRVZAOF-UHFFFAOYSA-N
ID: 6045
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)-c2c(ccc(C)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -16.543
InChIKey:YHOMCDVPTVMSRW-UHFFFAOYSA-N
ID: 6046
SMILES:CC1(C)C23C(CC1C1(OC2)C3)Oc2c(c(O)cc(CCCCC)c2)C1C=CC(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -15.413
InChIKey:AVGNAFFQZCJVSJ-UHFFFAOYSA-N
ID: 6047
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 6048
SMILES:Oc1ccccc1C1C(C(C=C(C)C)O)(C)C(CC=C(C)C)C(C)=CC=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.545
CB1 binding score: -13.174
InChIKey:BIVBOHYNJXQHCN-UHFFFAOYSA-N