ID: 85240
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 85241
SMILES:C12C(O)(CCC(C)=C1)C(C)(C)Oc1cc(C)c(O)cc12
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids;Miscellaneous meroterpenoids
MW: 274.36
CB1 binding score: -16.502
InChIKey:QTWLQTHHMXSTTI-UHFFFAOYSA-N
ID: 85242
SMILES:C(C(CCC=C(C)C)(O)C)=CCc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -16.263
InChIKey:FJIKTKGJMOODHK-UHFFFAOYSA-N
ID: 85243
SMILES:Oc1cc(CCC)cc2c1OC(C)(CCC=C(C)C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.747
InChIKey:XMNROVQWKXIDRH-UHFFFAOYSA-N
ID: 85244
SMILES:CC(=CCCC(=C)C=CCC(=CCc1cc(O)cc(C)c1O)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -17.881
InChIKey:XJGZQRUFAFFUAF-UHFFFAOYSA-N
ID: 85245
SMILES:C(CCCCCCC)CCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.685
CB1 binding score: -17.833
InChIKey:FTEQFDQPPLHHRU-UHFFFAOYSA-N
ID: 85246
SMILES:C1CC2C(C)(C)Oc3c(c(OC)cc(O)c3)C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.879
InChIKey:QUTSEXVWDYCFLT-UHFFFAOYSA-N
ID: 85247
SMILES:C1(=O)CC2(c3c(cc(CCCCC)cc3O)OC2)C(OC(=O)CCCCC)C1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -16.352
InChIKey:SPMAWGMMGVTUJV-UHFFFAOYSA-N
ID: 85248
SMILES:C1(C)=CC2c3c(O)cc(C)cc3OC3(C)C(C2)C3C1CC(C(O)(C)C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -12.3
InChIKey:URFNFKPUQLPZON-UHFFFAOYSA-N
ID: 85249
SMILES:CC(=CCCC(=CCc1c(C)cc(O)c(C2C=C(C)CCC2C(=C)C)c1O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.599
CB1 binding score: -16.631
InChIKey:ZZUWFWMKWUJSBE-UHFFFAOYSA-N
ID: 85250
SMILES:C1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1OC(C=Cc1ccc(O)c(OC)c1)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.536
CB1 binding score: -15.989
InChIKey:FBYGZHZJLUDOKD-UHFFFAOYSA-N
ID: 85251
SMILES:c1(CCCCC)cc2c(c(OC)c1)C1C(C(C)(O)CCC1C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.046
InChIKey:JYIWJCVBYCANMA-UHFFFAOYSA-N
ID: 85252
SMILES:c1(O)c2c(c(O)c(CC(Cl)C(C)=C)c1O)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.896
CB1 binding score: -15.023
InChIKey:LEHRDEWOKKYWTO-UHFFFAOYSA-N
ID: 85253
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 85254
SMILES:C1(CCC=C(C)C)(C)Oc2c(c(O)cc(CCCCCC)c2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.458
InChIKey:LZFSGTNLAZDDKK-UHFFFAOYSA-N
ID: 85255
SMILES:C(CCC)COCOC1C=C(CO)CCC2C(C)(C)C3C(=O)C(C)C12C=C3C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.564
CB1 binding score: -15.769
InChIKey:ICJZZPCAGJOQFP-UHFFFAOYSA-N
ID: 85256
SMILES:c1(CCCC)cc2c(c(O)c1)C1CC(C)C3OC(C)(C)C3CC1(O)C(=O)C(CC)(C(O)=O)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.578
CB1 binding score: -12.506
InChIKey:ULBWGCNCPMFCDT-UHFFFAOYSA-N
ID: 85257
SMILES:c1c(CCCCC)cc2c(c1O)OC(C)C1CC(C)(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -15.929
InChIKey:AVGFFYQIXPYASN-UHFFFAOYSA-N
ID: 85258
SMILES:CC1=CC2C(C(C)(C)Oc3c2c(O)cc2c3C=CC(C)(C)O2)CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -17.334
InChIKey:NYVYLUOYYFCARW-UHFFFAOYSA-N
ID: 85259
SMILES:C(C)(C)=CCC1c2c(cc(CCCCC)cc2O)OC(C)(C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.949
InChIKey:MIBRBCQQVHXIHL-UHFFFAOYSA-N
ID: 85260
SMILES:C(=O)c1ccc(O)c2c(O)c3c(cc1-2)OC(C)(C)C1CCC(C)=CC13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.403
CB1 binding score: -15.174
InChIKey:XPTWBWRJOXENEV-UHFFFAOYSA-N