ID: 52711
SMILES:C1(C)=CCCC(=C)C2C(CC1)C(C)(C)Oc1c2c(O)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.519
InChIKey:VUNPRPMLATVOJE-UHFFFAOYSA-N
ID: 52712
SMILES:C(CCCC1(C)C(CO)=CCC2C(C)(C)C1C2)c1cc(O)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.577
InChIKey:BCLFLRVXHKBLHC-UHFFFAOYSA-N
ID: 52713
SMILES:CC(C)=CCCC(C)=CCc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 52714
SMILES:C12C(C(C)C(=O)C1)c1cc(C)ccc1OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -15.115
InChIKey:NDUMVGQMEBHDRF-UHFFFAOYSA-N
ID: 52715
SMILES:C12C(C(C)(C)Oc3c1c(O)cc(CCCC)c3)C=C1C(COC(C)=O)C(=O)OCC1C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -16.023
InChIKey:FIVJKIJCUXXZBL-UHFFFAOYSA-N
ID: 52716
SMILES:C(CCCC)c1cc2c(c(O)c1)C1(O)CC(C(C)(C)O)OC1(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -16.445
InChIKey:YRZAKAIRWZHBRN-UHFFFAOYSA-N
ID: 52717
SMILES:c1(CCCCC)cc2c(c(OC)c1)C1C(C(C)(C)O2)CC=C(CCC=C(C)C)CN1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 411.63
CB1 binding score: -12.493
InChIKey:XMCAXKIGMYUSCT-UHFFFAOYSA-N
ID: 52718
SMILES:c12c(c(O)cc(CCCCC)c1)C(O)C1C(C)(CCC(C(C)(O)C)O1)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -15.226
InChIKey:PLCJJTHLYRTCHP-UHFFFAOYSA-N
ID: 52719
SMILES:C1CC(C)=CC2c3c(O)cc(C)cc3OCC(C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -15.428
InChIKey:HTLIKIUSVUKTPV-UHFFFAOYSA-N
ID: 52720
SMILES:c1(CCCCCCC)cc(O)c2c(c1)OC(C)(C)C1C2=CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -13.369
InChIKey:TYMVFDGODUGVHH-UHFFFAOYSA-N
ID: 52721
SMILES:CC1=CC2C(C(C)(C)Oc3cc(CCC)cc(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 52722
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(CCC=C(C)C)CC2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.525
InChIKey:LDYINFYTCVGNLT-UHFFFAOYSA-N
ID: 52723
SMILES:C1C(C)=CC=C(C(C)C)CCC2(C)Oc3c(c(O)c(C(=O)O)c(CCCCC)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -11.364
InChIKey:BFKDEGUOFFDBNM-UHFFFAOYSA-N
ID: 52724
SMILES:c12c(c(O)cc(CCCCC)c1)C(=O)C(CC=C(C)CCC=C(C)C)(C(=C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -16.503
InChIKey:HGSJYGCZEBGHQF-UHFFFAOYSA-N
ID: 52725
SMILES:C(=CCc1c(OC2OC(CO)C(O)C(O)C2O)c(OC)c(CCC)cc1O)(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.598
CB1 binding score: -13.7
InChIKey:PXHBXOBRPWVOKP-UHFFFAOYSA-N
ID: 52726
SMILES:C(CC)CCc1ccc2c(c1C)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -15.294
InChIKey:GBOPZTFNJHRLRA-UHFFFAOYSA-N
ID: 52727
SMILES:C1Oc2c(cc(CCCCC)cc2OC)C1C(=C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.288
InChIKey:WQSBEWBNHPSQNJ-UHFFFAOYSA-N
ID: 52728
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C=O)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.255
InChIKey:BGIBNWZALWRTHR-UHFFFAOYSA-N
ID: 52729
SMILES:C(C(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -15.86
InChIKey:RPMYDVPTCDSFHQ-UHFFFAOYSA-N
ID: 52730
SMILES:C12c3c(cc(CCCCC)cc3O)OC(C)(CC3C(=C(C)C(=O)O3)C1)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -14.821
InChIKey:AGYXTHJPOLWYGD-UHFFFAOYSA-N
ID: 52731
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)-c2cc(C)c3c(c21)C=CC(C)(C)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.539
CB1 binding score: -15.929
InChIKey:CMTNXAQOGYHGHY-UHFFFAOYSA-N