ID: 53845
SMILES:C(C)CCCCc1cc2c(cc1O)OC(C)(C)C1=C2C(O)C(C)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.324
InChIKey:PJRGGZBIZOXDRC-UHFFFAOYSA-N
ID: 53846
SMILES:CC1(C)C(c2c(C(=O)O)c(O)cc(CCCCC)c2)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.271
InChIKey:XJSCMTSXIJJLEV-UHFFFAOYSA-N
ID: 53847
SMILES:C(=O)(OC(c1cc(O)c2c(c1)OC(CCCC(C)C)(C)C(CCC(O)(C)C=C)C2)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.601
CB1 binding score: -15.156
InChIKey:QJWOYJBTFAOWFG-UHFFFAOYSA-N
ID: 53848
SMILES:C1(c2c(Cl)c3c4c(cc(C)c3OC2)OC(C)(C)C=C4)OC(C)(C)C2C3C1(C#N)CCC(C)(C3)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.101
CB1 binding score: -15.176
InChIKey:SGIHKKKTHQXWCF-UHFFFAOYSA-N
ID: 53849
SMILES:OC1(C)CCC2C(CO)(C)Oc3c(c(O)cc(CCCCC)c3)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -19.143
InChIKey:JXMAMOANGNVRBS-UHFFFAOYSA-N
ID: 53850
SMILES:CC(C)C(c1c(O)cc(O)c2c1OC(C)(C)C1C2C=C(C)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -18.957
InChIKey:VIYAGNJWEOQORJ-UHFFFAOYSA-N
ID: 53851
SMILES:Oc1cc(O)c2c(c1C=O)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.358
CB1 binding score: -15.332
InChIKey:OJUHAEUJILISOM-UHFFFAOYSA-N
ID: 53852
SMILES:C1(C(C)C)=CC=C(C)CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.215
InChIKey:JAEAERWWIUMZKV-UHFFFAOYSA-N
ID: 53853
SMILES:C(C(O)C)Oc1cc2c(cc1OC)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.224
InChIKey:GLLXFKLAUVWCMJ-UHFFFAOYSA-N
ID: 53854
SMILES:C(CC=C(C)C)C1(C)Oc2c(c(CCCCC)cc(O)c2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.062
InChIKey:HUMHIJNGRAKOKF-UHFFFAOYSA-N
ID: 53855
SMILES:C1C(C)=CC(c2c(O)ccc(CCNC(=O)C(C(=O)C)C)c2)C(C(C)=C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 369.505
CB1 binding score: -15.169
InChIKey:WLNNRAVAJMFEIJ-UHFFFAOYSA-N
ID: 53856
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1=CCC(C)C12)CC(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.552
InChIKey:SLWNTBTWVRINPH-UHFFFAOYSA-N
ID: 53857
SMILES:C(c1cc2c(c(O)c1)C(O)C1C(C)(O2)CC=C(C(C)C)C1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -13.418
InChIKey:HAHPPJNENSHPIT-UHFFFAOYSA-N
ID: 53858
SMILES:C1CC(=C)CC2c3c(O)cc(C)cc3OC(C)(C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -19.067
InChIKey:HRWSDIFPFHPUTH-UHFFFAOYSA-N
ID: 53859
SMILES:C1(OC(=O)C)OC=C(C(OC(C)=O)C=CC(O)(C)C)C2C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.55
CB1 binding score: -14.848
InChIKey:RDDPMFCFNNEBLJ-UHFFFAOYSA-N
ID: 53860
SMILES:C1(C)=CCCC2(C)Oc3c1c(O)cc(CCCCC)c3C2CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.23
InChIKey:DYYWEVAFCHLFMJ-UHFFFAOYSA-N
ID: 53861
SMILES:C12(C)CC(c3c(O)cc(CCCC)cc3O1)C(C(=C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.334
InChIKey:MNUBYOPTBHHAIM-UHFFFAOYSA-N
ID: 53862
SMILES:c1c(C=O)ccc2c1-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.42
CB1 binding score: -18.45
InChIKey:HXZOLVRQLAQLGI-UHFFFAOYSA-N
ID: 53863
SMILES:C1(C(C)(O)C)OC2C(C)(CC1)Oc1c(c(O)cc(CCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.429
CB1 binding score: -16.009
InChIKey:FNQJDPOSLVYKHR-UHFFFAOYSA-N
ID: 53864
SMILES:C(CCCC)CCc1cc2c(c(O)c1)C1CC(C)(CCC1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -16.819
InChIKey:VDSACSPTLZWMNJ-UHFFFAOYSA-N
ID: 53865
SMILES:CC1(C)Oc2c(c(O)cc(CCC)c2)-c2cc(OC)c(C)cc21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -14.83
InChIKey:FMWAGCXEHDKJDP-UHFFFAOYSA-N