ID: 104707
SMILES:c1c(C)c(O)cc2c1OC(C)(C)C1CCC(C(O)=O)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 288.343
CB1 binding score: -17.196
InChIKey:JQKMXCOKTFPPAA-UHFFFAOYSA-N
ID: 104708
SMILES:C(Cc1cc(O)c(CC=C(CCC=C(C)C)C)cc1O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -17.334
InChIKey:COYJXQRXXDXJHV-UHFFFAOYSA-N
ID: 104709
SMILES:C(c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C(C)CC1)(c1ccccc1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.566
CB1 binding score: -15.735
InChIKey:YTHCACYPLQVDFB-UHFFFAOYSA-N
ID: 104710
SMILES:Oc1cc(CC)cc2c1C(c1ccccc1)C1C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.68
CB1 binding score: -13.522
InChIKey:OSBWVVVIIFIFIF-UHFFFAOYSA-N
ID: 104711
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2CC(C(=C)C)CCC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.334
InChIKey:KKGGNLGHOSMNOH-UHFFFAOYSA-N
ID: 104712
SMILES:C1=C2C(C)(Oc3c(O)cc(CCCCC)cc31)CCC(O)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.143
InChIKey:VXZHVMRXQLYPGW-UHFFFAOYSA-N
ID: 104713
SMILES:Clc1cc(CCCCC)cc2c1C1C(=C(C)CCC1C(C)=C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.899
CB1 binding score: -16.108
InChIKey:PYQGTSUKOMCAOY-UHFFFAOYSA-N
ID: 104714
SMILES:Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)ccc1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -19.857
InChIKey:ADVBWFBGNLNRPY-UHFFFAOYSA-N
ID: 104715
SMILES:c1(-c2cc(OC)c(O)cc2)cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.457
CB1 binding score: -17.315
InChIKey:FLOOIOOKEAIWKN-UHFFFAOYSA-N
ID: 104716
SMILES:C1CC(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 104717
SMILES:c1(O)c(O)c(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.996
InChIKey:XXGMIHXASFDFSM-UHFFFAOYSA-N
ID: 104718
SMILES:c1(O)c(CC=C(C)CCC=C(C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 104719
SMILES:Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.619
InChIKey:MMZAEMNNHWYQKW-UHFFFAOYSA-N
ID: 104720
SMILES:C(CCC)CCCC(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.642
CB1 binding score: -16.626
InChIKey:YEEMLHRJKMIRGQ-UHFFFAOYSA-N
ID: 104721
SMILES:CC1=C2CC(c3c(O)cc(CCCCC)cc3OC2O)OC1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.369
CB1 binding score: -14.592
InChIKey:OPSUDVSMBMYLAY-UHFFFAOYSA-N
ID: 104722
SMILES:c1c(O)cc2c(c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.912
InChIKey:JKUWZILTAIFPQY-UHFFFAOYSA-N
ID: 104723
SMILES:O(c1cc2c(cc1)OC(C)(C)C1CCC(C)=CC12)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.071
InChIKey:QJRPBWFSXAYWJJ-UHFFFAOYSA-N
ID: 104724
SMILES:Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 104725
SMILES:C(CC)CCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -18.687
InChIKey:RGXKCMQANRHRCO-UHFFFAOYSA-N
ID: 104726
SMILES:c1(O)cc(CCCCC)cc2c1C(=O)OC2(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.395
InChIKey:KKZPUQUTFWBGCK-UHFFFAOYSA-N
ID: 104727
SMILES:O1C(C)(C)C2CCC(C)=CC2c2cc(C)cc(O)c21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.913
InChIKey:USHZBDBBZHEKPJ-UHFFFAOYSA-N