ID: 50191
SMILES:Oc1cc2c(cc1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -20.067
InChIKey:OBJJEVJNCDBGOD-UHFFFAOYSA-N
ID: 50192
SMILES:C12c3c([N+](=O)O)cc(C)cc3OC(C)(C)C1CCC(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.367
CB1 binding score: -14.262
InChIKey:BMTGHZYZCRIUMW-UHFFFAOYSA-N
ID: 50193
SMILES:Oc1cc(C)cc(CCCC(CCC2C(C)(C)O2)(C)O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.419
CB1 binding score: -15.87
InChIKey:OSOCDUIVXRXNIK-UHFFFAOYSA-N
ID: 50194
SMILES:Oc1cc(OC)c2c(c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.863
InChIKey:WHDAFDHUJCLHDY-UHFFFAOYSA-N
ID: 50195
SMILES:C(CCCCCc1cc2c(c(O)c1O)C1C(C(C)(C)O2)CCC(C)=C1)C(=O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -11.686
InChIKey:QLKVUODQSKXESM-UHFFFAOYSA-N
ID: 50196
SMILES:C(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -19.395
InChIKey:VTKCSOVWESGERA-UHFFFAOYSA-N
ID: 50197
SMILES:CC1(CCC=C(C)C)C2C3(OC3CC2C)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -12.523
InChIKey:WHUINOHUACYYBZ-UHFFFAOYSA-N
ID: 50198
SMILES:CCCCCc1c(O)c(C2C=C(C(OC)=O)CCC2C(C)=C)c(O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.413
InChIKey:XBFBAZAEDPVYCJ-UHFFFAOYSA-N
ID: 50199
SMILES:C(C(C)C(=O)c1cc2c(cc1)OC(c1cc(O)cc3c1CC1C(C)(C)OC(C)(CCC1C(=C)C)C3)C2=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 516.678
CB1 binding score: -16.367
InChIKey:ZVUHTWRJVSUOPU-UHFFFAOYSA-N
ID: 50200
SMILES:C(C)CCCc1c(C(=O)O)c(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 50201
SMILES:C(c1c(O)c(CC=C(CCC=C(C)C)C)c(OC)c(Cl)c1CCCCCC)CC(C)=CCc1cc(O)ccc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 569.226
CB1 binding score: -14.998
InChIKey:PRYIPPJVGRNGHW-UHFFFAOYSA-N
ID: 50202
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.389
InChIKey:HTKJBZNZTMUGNL-UHFFFAOYSA-N
ID: 50203
SMILES:C(CC1(C)C=Cc2c(O)cc(CCCCC)cc2O1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 50204
SMILES:c1(O)c2c(cc(CCCCC)c1)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: 50205
SMILES:CC(C(=O)OC1C2C(C)(C)CCCC2(C)Oc2c1c(O)cc(CCCCC)c2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -12.834
InChIKey:CFMIAHRZVPIZOG-UHFFFAOYSA-N
ID: 50206
SMILES:C(CC)Cc1cc(O)c2c3c1OC(C)(C)C1C3CC(O)(C)C(O2)CC=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -13.491
InChIKey:UOWOFGCWWJOYSW-UHFFFAOYSA-N
ID: 50207
SMILES:O1CC12C1CC3=C(C)C(=O)OC3C(C(C)c3c(O)c(C(=O)O)c(CCCCC)cc3O)C1(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.589
CB1 binding score: -14.198
InChIKey:XXUNCDQCQWUPTI-UHFFFAOYSA-N
ID: 50208
SMILES:C1C(C(C)C)C(c2c(OC(=O)C)cc(CCCCC)cc2OC)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -15.801
InChIKey:HYIWGHWVYNKKQC-UHFFFAOYSA-N
ID: 50209
SMILES:C1C23C(CC(=O)C(C)C2C(c2c(O)cc(CCCCC)cc2O)O3)C(C(O)(C)C)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.568
CB1 binding score: -12.318
InChIKey:ZYWJQCBQPJFYQC-UHFFFAOYSA-N
ID: 50210
SMILES:C123CC(C)(CC1)CC(c1c(O)cc(CCCCC)cc1O2)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.03
InChIKey:JCFXRJUTKXLHOD-UHFFFAOYSA-N
ID: 50211
SMILES:Oc1cc(CCCCC)cc2c1C1C=C(C(OC)=O)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.943
InChIKey:CCMWHLPOQSRJEP-UHFFFAOYSA-N