ID: 112540
SMILES:C(C)(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 112541
SMILES:O1C(C)(C)C1CCc1cc2c(c(O)c1)C1CC(=C2C=O)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.447
CB1 binding score: -15.288
InChIKey:DXQRUJRAKYZTFK-UHFFFAOYSA-N
ID: 112542
SMILES:CN(CCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 315.457
CB1 binding score: -16.186
InChIKey:BQTPTISOXFHPHI-UHFFFAOYSA-N
ID: 112543
SMILES:CC1(O)C(N)CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 347.499
CB1 binding score: -10.743
InChIKey:LIYRPBUTFSTBAR-UHFFFAOYSA-N
ID: 112544
SMILES:C1(Oc2cc(CCCCC)cc(O)c2C(=O)O)C(C(C)C)CCC1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -15.119
InChIKey:MPPBWLVELBYOOR-UHFFFAOYSA-N
ID: 112545
SMILES:CC=CC1C2c3c(O)cc(CCC)cc3OC(C)(C)C2CC=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.334
InChIKey:LYISGSUKTGZRQK-UHFFFAOYSA-N
ID: 112546
SMILES:c1c(C)cc(O)c2c1c1c(O)cc(CCCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -16.451
InChIKey:SNVBVUUFMOGXRM-UHFFFAOYSA-N
ID: 112547
SMILES:C1c2c(cc(CCCCC)cc2OC)OC12OC(C=C(C)COC(C)=O)(C)CC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -13.415
InChIKey:FWCJQBXYRYKNPX-UHFFFAOYSA-N
ID: 112548
SMILES:C(CC(C)C)C1Oc2cc(CCCCC)ccc2C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.42
CB1 binding score: -15.43
InChIKey:ALHQFBLHUOGQSZ-UHFFFAOYSA-N
ID: 112549
SMILES:CC12C3C4(C)OC4OC3(C)C(OC(C(=CC)C)=O)CC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.66
CB1 binding score: -16.173
InChIKey:VXEKOCRMEBSKFO-UHFFFAOYSA-N
ID: 112550
SMILES:Sc1c(CC=C(C)C)cc2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.521
CB1 binding score: -14.809
InChIKey:UDHFRHMRIGNNJD-UHFFFAOYSA-N
ID: 112551
SMILES:c12cc(CCC(=O)OCC)ccc1OC(C)(C)C1CCC(CO)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -14.207
InChIKey:CRXGVBZIUGSAOP-UHFFFAOYSA-N
ID: 112552
SMILES:CC(CCC=C(C(O)=O)C)=CCc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -18.723
InChIKey:WJFILTHPTPTQEA-UHFFFAOYSA-N
ID: 112553
SMILES:CC1(C)C2CC=C(C)CC2c2c(O)c(Br)c(C)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 337.257
CB1 binding score: -18.08
InChIKey:ALGFBZJEEXXPIK-UHFFFAOYSA-N
ID: 112554
SMILES:OC1(CC=C(C)C)c2c(C)c(CCCCC)cc(O)c2CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -17.123
InChIKey:DPEDTYVCXXAPFW-UHFFFAOYSA-N
ID: 112555
SMILES:c1c(O)c(CC=C(C)CCC=C(C)C)c(O)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 112556
SMILES:COc1c(CC=C(C)CCC=O)c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -14.231
InChIKey:WVUOPEZTXCENJT-UHFFFAOYSA-N
ID: 112557
SMILES:Oc1c(C(O)C(C)O)cc(=O)c(OC)c(C2C=C(C)CCC2C(C)=C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -12.406
InChIKey:ASJSSGBEKYFXIQ-UHFFFAOYSA-N
ID: 112558
SMILES:C1(C)(C)C2CCC(C)CC2c2cc(CCCCC)cc(O)c2C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -12.995
InChIKey:CHXRIBWEIMULPU-UHFFFAOYSA-N
ID: 112559
SMILES:C12(C)OCC(C)(C1CCC(C)=O)C1C(O)CC3(C)Oc4cc(CCCCC)cc(O)c4C13OC2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 486.605
CB1 binding score: -14.084
InChIKey:IRANNYDAOJRLSF-UHFFFAOYSA-N
ID: 112560
SMILES:C1(CC=CC(OC)(C)C)(C)C(O)Cc2c(CCCCC)cc(OC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -15.012
InChIKey:KBROMSOWQNBSPC-UHFFFAOYSA-N