ID: 78247
SMILES:C(C)CCCc1c(C2C(C(C)C)CCC(CO)=C2)c(O)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 332.484
CB1 binding score: -15.823
InChIKey:VMYPFJIBNUAFTH-UHFFFAOYSA-N
ID: 78248
SMILES:COC(=O)c1c(CCCCC)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -12.235
InChIKey:YUONDRLLZXDEKN-UHFFFAOYSA-N
ID: 78249
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1CC(C)(CCC1C(C)(C)Oc1c(CC=C(C)CCC=C(C)C)cc(C(OC)=O)cc1)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 616.883
CB1 binding score: -14.459
InChIKey:LOVJUHBJXLKDMZ-UHFFFAOYSA-N
ID: 78250
SMILES:C1(c2c(O)ccc(OC)c2)C=C(C)CCC1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.401
InChIKey:YRXZLRWBEYIBHE-UHFFFAOYSA-N
ID: 78251
SMILES:c1(C)c2c(c(C(C(OC)=O)C)cc1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -14.849
InChIKey:OZOAKWCCZYESTF-UHFFFAOYSA-N
ID: 78252
SMILES:OCC1CCC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.083
InChIKey:FFXJZRMHFHPCNY-UHFFFAOYSA-N
ID: 78253
SMILES:CC1(C)C2CCC(C)CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 78254
SMILES:C(CC)(=C)C1c2c(O)cc(CCC)cc2OC(C)(C)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -12.456
InChIKey:RRADODFBDCEWRA-UHFFFAOYSA-N
ID: 78255
SMILES:CC1=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 78256
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)C(O)C1)C1=C2C(C(C)(C)CCC2)CC=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.657
CB1 binding score: -15.044
InChIKey:IKPDVPOAOFPMNP-UHFFFAOYSA-N
ID: 78257
SMILES:CCC#Cc1c(O)c(C2C=C(C)CCC2C(=C)C)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.546
CB1 binding score: Not available
InChIKey:GSABOOAKCOQYAL-UHFFFAOYSA-N
ID: 78258
SMILES:CC(C)=CCCC1(C)C=CCC(C)C1CCC1(C)Oc2c(c(O)cc(CCCCCC)c2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.75
CB1 binding score: -15.367
InChIKey:JYVPNKQPXIHYJY-UHFFFAOYSA-N
ID: 78259
SMILES:C(c1cc(O)c(C2(C(O)=O)CC(C)(C)CCC2)c(O)c1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -16.135
InChIKey:HLYXETIKLJTMEW-UHFFFAOYSA-N
ID: 78260
SMILES:C(C1C(C)(C)Oc2cc(CCCCC)cc(O)c21)=CC(OC)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -15.2
InChIKey:OAJOVHFZDKEFHR-UHFFFAOYSA-N
ID: 78261
SMILES:c12c(cc(CCC)cc1O)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.805
InChIKey:CDBDULHNWQRYSY-UHFFFAOYSA-N
ID: 78262
SMILES:C(C=C(C)C)C=C(C)C1CC2C(C)(Oc3c(c(O)cc(CCCCC)c3)C2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -13.067
InChIKey:CSSUCBITTZFBPR-UHFFFAOYSA-N
ID: 78263
SMILES:c1c(OC(CCCCCC)=O)c(CCCCC)cc2c1C1C(CCC(=C)C3OC3C(C)(C)C1O)(O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 500.676
CB1 binding score: -16.09
InChIKey:VNCAFPYNJHYJRQ-UHFFFAOYSA-N
ID: 78264
SMILES:C(CCC)c1cc(O)c2c(c1O)C1C=C(C)CCC1C2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -13.897
InChIKey:IWEKNKJGXXQVGU-UHFFFAOYSA-N
ID: 78265
SMILES:C1(CCC2(C)Oc3ccc(O)cc3C=C2)(C)CCC(=O)C(C)(C)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.078
InChIKey:MCYZPWDSWYUMIN-UHFFFAOYSA-N
ID: 78266
SMILES:C(=O)(C)Oc1c(O)cc2c(c1Cc1c(C(O)=O)c(CC(=O)OC(C)(C)O)cc3c1CC(C(O)(C)C)O3)OC(C)(C)C1CCC(C)(CC21)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 670.752
CB1 binding score: -16.357
InChIKey:XZHATDJQTXNYTA-UHFFFAOYSA-N
ID: 78267
SMILES:CC1(C)C(CC2(C)Oc3cc(CCCCC)cc(O)c3C=C2)C2C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: Not available
InChIKey:XRCJAILZMAMXRJ-UHFFFAOYSA-N