ID: 56008
SMILES:C1(c2c(O)cc(CCCCC)cc2)OC(C)(C)C2C1C=C(C=O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -11.805
InChIKey:KLAWKQLODASFTQ-UHFFFAOYSA-N
ID: 56009
SMILES:Oc1c2cc(c(C(=O)OC)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -11.752
InChIKey:ODHSRTRYRCROFW-UHFFFAOYSA-N
ID: 56010
SMILES:O(c1cc(CCCCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2)C(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -18.166
InChIKey:WPRGTCVOBXQUHO-UHFFFAOYSA-N
ID: 56011
SMILES:c12cc(C)c(O)cc1C(C)C(C(C(C)=CCC1OC1(C)C)OC(CCC)=O)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.811
InChIKey:WGJMGCRBVVNMRC-UHFFFAOYSA-N
ID: 56012
SMILES:C1C(C)=CC(c2c(OC)cc(CCCCCO)cc2O)C(C(OC(C)=O)(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.547
CB1 binding score: -15.421
InChIKey:RHHJEGIKLDRIFV-UHFFFAOYSA-N
ID: 56013
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 56014
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.707
CB1 binding score: -15.929
InChIKey:BTZORMYGEYEXGR-UHFFFAOYSA-N
ID: 56015
SMILES:C(C)(CCC=C(C)C)=CCCC(=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -19.427
InChIKey:VVBVATXKSUVSTB-UHFFFAOYSA-N
ID: 56016
SMILES:C1(C)C(=O)OC2=C3C(C)(CCC12C)Oc1c(c(O)cc(CCC)c1)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -14.605
InChIKey:IBNJIKPRNIYXGQ-UHFFFAOYSA-N
ID: 56017
SMILES:C1CC2(C)C(c3c(O)cc(CCCCC)cc3O1)C1C(C)(C)C1CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -14.394
InChIKey:KJBJFMSNAAIYHU-UHFFFAOYSA-N
ID: 56018
SMILES:OC1C(C)(C)Oc2cc(C(Cl)(Cl)Cl)c3c(c21)C=CC(C)(CCC=C(C)CCC=C(C)C)O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 499.906
CB1 binding score: -15.898
InChIKey:KNUUYGXXYPHANQ-UHFFFAOYSA-N
ID: 56019
SMILES:CCC(C(OCc1cc(OC(=O)C)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)=O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -13.089
InChIKey:YANZKBLTYOPHGE-UHFFFAOYSA-N
ID: 56020
SMILES:CC1=CC2C(C(C)(C)Oc3c2c(O)c(Br)cc3)CC1C=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 351.24
CB1 binding score: -15.393
InChIKey:JJMLSCMEJBJSLT-UHFFFAOYSA-N
ID: 56021
SMILES:C(C)(C)C1=CC2C(C)(Oc3c2c(OC)cc(CCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.202
InChIKey:ZUFARBHGAPZFKV-UHFFFAOYSA-N
ID: 56022
SMILES:C(Cc1c(C(O)=O)cc2c(c1O)OC(C)(C)C1CCC(C)=CC21)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.38
CB1 binding score: -14.668
InChIKey:HZTROQXHGXPVFD-UHFFFAOYSA-N
ID: 56023
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.994
InChIKey:DSEWHWHSPHCHIJ-UHFFFAOYSA-N
ID: 56024
SMILES:c1(CCO)c(CCCC)cc(OC)c(C2C(C(C)=C)CCC2(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -15.221
InChIKey:ONWLNCSCXNPCKN-UHFFFAOYSA-N
ID: 56025
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2CC(=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.055
InChIKey:AOYYFUGUUIRBML-UHFFFAOYSA-N
ID: 56026
SMILES:CCCCCC1Cc2c(c(C(O)=O)c(CCCCC)cc2O)OC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -12.923
InChIKey:NGUCOKWEGJPZCM-UHFFFAOYSA-N
ID: 56027
SMILES:CC1=CC(c2c(O)ccc(CC(C)O)c2)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -16.439
InChIKey:ITVBLGGBCBUBLH-UHFFFAOYSA-N
ID: 56028
SMILES:CC(=CCc1c(O)c2c(cc1C)OC(C)(C)c1c2cc(C)cc1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 322.448
CB1 binding score: -13.909
InChIKey:VVSIIKZYCAFEPB-UHFFFAOYSA-N