ID: 4285
SMILES:c1(O)c2c(cc(C)c1)OC(C1CC=C(CCC=C(C)C)CC1(C)CC2)Br
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 419.403
CB1 binding score: -11.842
InChIKey:ZNGQMPKJMIORPZ-UHFFFAOYSA-N
ID: 4286
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(cc(O)c(Br)c3C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 337.257
CB1 binding score: -15.371
InChIKey:PXOKBXDOARZOQK-UHFFFAOYSA-N
ID: 4287
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 4288
SMILES:C(CCC(C)=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.944
InChIKey:PXPDKUHGJIMKBA-UHFFFAOYSA-N
ID: 4289
SMILES:c1(CCCC)c(C)cc2c(c1O)C1CC(C)(O2)CCC1C(CCC=C(C)C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -17.496
InChIKey:YPPDFHIOMRZFHV-UHFFFAOYSA-N
ID: 4290
SMILES:C1(C)=CC2C(C(C)(C)Oc3cc(CCCC)cc(O)c32)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.216
InChIKey:QEMHHNNMSWOPLY-UHFFFAOYSA-N
ID: 4291
SMILES:c1(CCCCCC)cc(O)c2c(c1)C1C=C(CCC=C(C)C)C(O)CC1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -12.459
InChIKey:GHDDMRGLDAPBEM-UHFFFAOYSA-N
ID: 4292
SMILES:C(CCCC=C)Cc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -14.385
InChIKey:PKQOIAJUZOUBOD-UHFFFAOYSA-N
ID: 4293
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12)C(=O)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.412
InChIKey:HPLSPYNSBABAQD-UHFFFAOYSA-N
ID: 4294
SMILES:Oc1cc(O)cc2c1C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -17.843
InChIKey:SQYWDUKBCPDUTR-UHFFFAOYSA-N
ID: 4295
SMILES:O=C1C2(O)Cc3c(O)cc(C)cc3OC(C)(C)C2CC(O)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.385
CB1 binding score: -15.888
InChIKey:GIMVVHWEGFVAHT-UHFFFAOYSA-N
ID: 4296
SMILES:C1C(O)C(C)=CC2C1C(C)(C)Oc1c2c(OC(C)=O)cc2c1CC(C)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -15.751
InChIKey:ODBYSNLGOBKOIS-UHFFFAOYSA-N
ID: 4297
SMILES:Oc1cc(CCCC)cc2c1C1C(C(=C)C)CCC(C)(O2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.879
InChIKey:YXQLQSICEPBGEN-UHFFFAOYSA-N
ID: 4298
SMILES:C(Cc1cc(OC(C(F)(F)F)=O)cc(C)c1)C(CCCC(CO)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.416
CB1 binding score: -14.773
InChIKey:NLPCKQVKFMCOOC-UHFFFAOYSA-N
ID: 4299
SMILES:C=C(C)C1C(c2c(O)cc(CCCCC)cc2)OC1C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.194
InChIKey:VRQHTDHZHDDCAK-UHFFFAOYSA-N
ID: 4300
SMILES:C(=O)(O)C1=CC2C(C(C)(C)Oc3cc(C)c(O)cc32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 288.343
CB1 binding score: -17.196
InChIKey:JQKMXCOKTFPPAA-UHFFFAOYSA-N
ID: 4301
SMILES:COC(=O)C1(O)C(C)CC2C(C(C)(C)Oc3c2c(O)c2c(cc(C)cc2O)c3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.471
CB1 binding score: -14.526
InChIKey:RJTXONGNDUKXBI-UHFFFAOYSA-N
ID: 4302
SMILES:C(c1c2c(c(O)c(CC=C(C)C)c1)OC(C)(C)C1C2C=C(C)CC1)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -14.883
InChIKey:DEOILIPEGILTHF-UHFFFAOYSA-N
ID: 4303
SMILES:Oc1cc(CCC)cc2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.6
InChIKey:BQTLJMHBLRMDJC-UHFFFAOYSA-N
ID: 4304
SMILES:CC1=CC(c2c(CCCCC)cc3c(c2O)OC(C)(C)C=C3)OC(C)(C)C1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.652
CB1 binding score: -15.435
InChIKey:LYDXMFLOQGDCLN-UHFFFAOYSA-N
ID: 4305
SMILES:Oc1cc(CCCC)cc2c1C1C3C(CC=C3CCC1)C2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.481
CB1 binding score: -14.295
InChIKey:DYMDEHRELWSGMS-UHFFFAOYSA-N