ID: 85744
SMILES:C1(C(C)=C)Cc2c(c(CCCCC)cc(O)c2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -15.522
InChIKey:VVEJMGKGNLDGNV-UHFFFAOYSA-N
ID: 85745
SMILES:C1(C)(C)CC2(Oc3c(c(OC)cc(CCC)c3)C2O)C2CCC(C)=CCC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -13.419
InChIKey:LAEWMYMFYTYBBT-UHFFFAOYSA-N
ID: 85746
SMILES:C1C2C(O)(c3c(O)cc(CCCCC)cc31)OC(C)(C)C1C2C(OC(C)=O)C(O)(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.584
CB1 binding score: -15.345
InChIKey:IFZMMXJTYPYSCX-UHFFFAOYSA-N
ID: 85747
SMILES:c1(CCc2cc(O)cc(O)c2)cc2c(c(O)c1)C1C3(CCC4C(C)(C)CCCC4(C)C3(C)C2)C(C)(C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 504.711
CB1 binding score: -15.768
InChIKey:HXOUXLIXKBEZSN-UHFFFAOYSA-N
ID: 85748
SMILES:C(C=C(C)C)CC(C)=CCc1c(C)cc(O)c(C2C(C(C)C)CCC(C)=C2)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -17.81
InChIKey:GQFMUMBFQUTHFH-UHFFFAOYSA-N
ID: 85749
SMILES:c12ccc(Br)cc1C(C)(C)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 389.333
CB1 binding score: Not available
InChIKey:GLXQVYLGBHZGFM-UHFFFAOYSA-N
ID: 85750
SMILES:CCCCCc1c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.268
InChIKey:ZVLQJRXSGVAHOI-UHFFFAOYSA-N
ID: 85751
SMILES:Oc1c2c(cc(C)c1)OC1(C)C2CC(C(C)C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -16.893
InChIKey:ZSJBSHYVMIYMFH-UHFFFAOYSA-N
ID: 85752
SMILES:C12c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C1(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.234
InChIKey:KJSKJULUKFUCBP-UHFFFAOYSA-N
ID: 85753
SMILES:O1c2c(c(O)c(C(=O)O)c(CCCCC)c2)C2CC(C1)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.412
CB1 binding score: -13.929
InChIKey:RLLBZGRLQHGBSX-UHFFFAOYSA-N
ID: 85754
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(OC)CCC1C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -16.63
InChIKey:IAWMYCOOLJMAES-UHFFFAOYSA-N
ID: 85755
SMILES:c12c(cc(O)cc1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -18.541
InChIKey:DXDRGIVLXHOGHC-UHFFFAOYSA-N
ID: 85756
SMILES:c12c(O)cc(CCC)cc1OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 85757
SMILES:C(CCOC)c1cc(O)c(CC2C(C)(C)OC(CCC=C(C)C)(C)C=C2)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -13.838
InChIKey:ILEITVMJDMEDTB-UHFFFAOYSA-N
ID: 85758
SMILES:c1(C)cc2c(c(O)c1)C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -18.328
InChIKey:IWHYDYORMMBLMI-UHFFFAOYSA-N
ID: 85759
SMILES:CC1(O)CCC2c3c(cc(CCCCC)cc3O)OC(c3cocc3)CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -16.347
InChIKey:RZLKSEPERUQMBN-UHFFFAOYSA-N
ID: 85760
SMILES:C1Oc2cc(CCCCC)cc(O)c2C1C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -15.609
InChIKey:IMVVMMURDFHYMA-UHFFFAOYSA-N
ID: 85761
SMILES:C1(C)C2=C(CC1)C(C)(C)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.837
InChIKey:LASDRYZIFDQTAW-UHFFFAOYSA-N
ID: 85762
SMILES:C12CC(=C)C(O)CC1C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.334
InChIKey:WVSRIRSDKHNXKW-UHFFFAOYSA-N
ID: 85763
SMILES:C(C)Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 85764
SMILES:OC12C(CCC(C)=C1)C(C)(C)Oc1c2c(O)cc(CCCCCO)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.746
InChIKey:TWINAIUZTGETSP-UHFFFAOYSA-N