ID: 52165
SMILES:c1(O)c(O)cc2c(c1OC)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.358
CB1 binding score: -13.69
InChIKey:QLXYRNOOSPHNJM-UHFFFAOYSA-N
ID: 52166
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 52167
SMILES:c1(C(O)=O)c(O)c(O)c2c(c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.342
CB1 binding score: -17.915
InChIKey:DLYJFEXKCCFUEL-UHFFFAOYSA-N
ID: 52168
SMILES:O(c1cc(CC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.383
CB1 binding score: -15.623
InChIKey:QTXDMYAXBAFFMP-UHFFFAOYSA-N
ID: 52169
SMILES:C1(C)=C2C(C(C)(OC(C)=O)C(OC(=O)CCC)C=C3C(C)(C)OC(=O)C=C3O2)CCC2C1=CC(=O)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 542.625
CB1 binding score: -14.804
InChIKey:RVQKCBLVMQVAMN-UHFFFAOYSA-N
ID: 52170
SMILES:C1(C)CCC2C3(C1=O)CC(C2(C)C)Oc1cc(CCC)cc(O)c1C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.435
InChIKey:FHEMBXBPNSQIBW-UHFFFAOYSA-N
ID: 52171
SMILES:CC1(c2cc(O)cc(CCCCC)c2)C2C(CC1)C(C)=CCC2C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.578
CB1 binding score: -16.658
InChIKey:AADNTORNYSWARW-UHFFFAOYSA-N
ID: 52172
SMILES:C(=C(C)CCC=C(C)C)Cc1c(O)c(C(O)=O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 344.495
CB1 binding score: -19.654
InChIKey:TURBAOCYHPEVOM-UHFFFAOYSA-N
ID: 52173
SMILES:C1CC2C(C=C1C)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 52174
SMILES:c1(C(C)C)c(-c2c(O)cc(CCCCC)cc2O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 384.56
CB1 binding score: -12.89
InChIKey:MPQGYLXDLJLRHJ-UHFFFAOYSA-N
ID: 52175
SMILES:C1(C(C)C)=CC(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.502
InChIKey:LZVORLOIILVMSA-UHFFFAOYSA-N
ID: 52176
SMILES:C(CC(C)C)=CC(C)=CCc1c(O)c(C2OC(C)C(O)C(O)C2O)c(O)c2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 542.713
CB1 binding score: -14.605
InChIKey:KQZHJSMQXNDOMC-UHFFFAOYSA-N
ID: 52177
SMILES:CC(CC(=O)c1c(O)cc(O)c2c1OC(C)(C)C1CC=C(C(=O)O)CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.433
CB1 binding score: -14.108
InChIKey:CTFSWTKGYZBORL-UHFFFAOYSA-N
ID: 52178
SMILES:C1(C)c2cc(c(C)cc2)-c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.41
CB1 binding score: -17.123
InChIKey:DIIGVNJGXSWQRW-UHFFFAOYSA-N
ID: 52179
SMILES:C1=C(C)COc2c(c(O)c(C)c(O)c2)C(CCC=C(CCC=C(C)C)C)(C)C1COC(=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -15.434
InChIKey:GPZPTIJJUXKNBD-UHFFFAOYSA-N
ID: 52180
SMILES:C(=C(C)CCC=C(C)C)CCC1(C)Oc2cc(CCc3ccccc3)cc(OC)c2C(=O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.631
CB1 binding score: -13.606
InChIKey:OMJAEAIDDOEEAU-UHFFFAOYSA-N
ID: 52181
SMILES:c1(CCCCC)cc2c(c(O)c1C(C)=O)C1CC(C)(O2)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.916
InChIKey:FAEZTUSTTCITHS-UHFFFAOYSA-N
ID: 52182
SMILES:CC1=CCC2C(C)(C)Oc3cc(CCc4ccccc4)cc(O)c3C2C1
Pathway: Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Stilbenoids
Class: Cannabinoids;Monomeric stilbenes
MW: 348.486
CB1 binding score: -17.817
InChIKey:AAVGZFGYDPFYEH-UHFFFAOYSA-N
ID: 52183
SMILES:C1(=O)CC(C(=C)C)C(c2c(O)cc(CC)cc2O)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -14.605
InChIKey:FXZQJKRBMPWLLE-UHFFFAOYSA-N
ID: 52184
SMILES:C(CC=C(C)C)C(=CCC(SCCCC)C(C)=CCc1c(O)c(C)cc(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.671
CB1 binding score: -13.761
InChIKey:BPQKXQYREQSASN-UHFFFAOYSA-N
ID: 52185
SMILES:C(Oc1c2c(ccc1OC)OC(C)(C)C1C2C=C(C)CCC1C(CCC=C(C)C)C)(=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -15.842
InChIKey:VGMKSGITLRRUMM-UHFFFAOYSA-N