ID: 13168
SMILES:c1(CCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 13169
SMILES:c1(CCCCC)cc2c3c(c1)OC(CCC=C(C)C)(C)C1C3C(CC1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -13.537
InChIKey:BYGYBNNXBYTVBU-UHFFFAOYSA-N
ID: 13170
SMILES:C1CC2OC(C)(C)C1Cc1c(O)cc(C)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.322
CB1 binding score: -14.202
InChIKey:RUIAXCVWMNTMCM-UHFFFAOYSA-N
ID: 13171
SMILES:CCCCCC(=O)c1c(O)ccc2c1OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.605
InChIKey:PBVPVYLYLRFMHS-UHFFFAOYSA-N
ID: 13172
SMILES:C(CCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)CC1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.619
CB1 binding score: -17.469
InChIKey:BCDHFLPHCWOBFX-UHFFFAOYSA-N
ID: 13173
SMILES:c1c(CCc2cc(O)c(CC=C(C)C)cc2)cc(O)c(CC=C(C)CCC=C(CCC=C(C)C)C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 502.739
CB1 binding score: -16.591
InChIKey:VBNPRAZQLGBYOS-UHFFFAOYSA-N
ID: 13174
SMILES:O=S(O)(=O)Oc1c(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC#C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.544
CB1 binding score: -14.314
InChIKey:WOTPUCMHQVCAPW-UHFFFAOYSA-N
ID: 13175
SMILES:C1(C)(C(CCC(C)=CCCC(C)=CCc2cc(O)cc(C)c2O)c2ccc(O)cc2C)CCC(C(O)(C)C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 536.753
CB1 binding score: -15.701
InChIKey:XCFQENWTPHKIRE-UHFFFAOYSA-N
ID: 13176
SMILES:C1(C)(O)C2C(C(O)(C)COc3c(c(O)cc(CCCC)c3)C2C=C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -16.217
InChIKey:MRPYWFGXTUZXFW-UHFFFAOYSA-N
ID: 13177
SMILES:C=Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.372
CB1 binding score: -18.09
InChIKey:MOGXJOHEBSGEPO-UHFFFAOYSA-N
ID: 13178
SMILES:c1c2c(cc(CCCCC)c1)COC(C)(C)c1ccc(C)cc1-2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 308.465
CB1 binding score: -13.633
InChIKey:LIXDSQWYSXXSNA-UHFFFAOYSA-N
ID: 13179
SMILES:C(Cc1c(O)cc(CCCCC)cc1)=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.003
InChIKey:KXYIDYXHLDYCQN-UHFFFAOYSA-N
ID: 13180
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 13181
SMILES:C(CCC(O)(C)C=C)C(=CCc1c(O)c(C)cc(O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -19.028
InChIKey:KWWKYXRXHQHLOX-UHFFFAOYSA-N
ID: 13182
SMILES:c1(CC2=C(O)C(C)(CCC=C(C)CCC=C(C)C)Oc3cc(O)cc(C)c3C2=O)cc(O)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.612
CB1 binding score: Not available
InChIKey:UOYPITYRUFYBSY-UHFFFAOYSA-N
ID: 13183
SMILES:O1C(C)(C)C2C(c3c(O)cc(CCCCC)cc31)OC1(C)C(CCC(C)=CC1)C(C(C)C)=C2C=COC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 536.753
CB1 binding score: -14.974
InChIKey:QCTLVJURLOIVHI-UHFFFAOYSA-N
ID: 13184
SMILES:c1(CCCCC)c(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: 13185
SMILES:CC(C)CC(c1c(O)c2c(c3c1OC(C)(C)C=C3)C1C(C)(CC(C)CC1=O)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -14.902
InChIKey:CXJBERLDXWBXET-UHFFFAOYSA-N
ID: 13186
SMILES:c1(-c2c(C)cc(O)c(C(CCC=C(C)C)C)c2O)cc(O)c2c(c1)OC(C)(C)C1CCC(C)C21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.646
CB1 binding score: -14.032
InChIKey:XUKABZWATKWFPC-UHFFFAOYSA-N
ID: 13187
SMILES:CC1(C)OCC2(OC(=O)C)C(CC(C3(C)OC3)C1)c1c(O)cc(C)cc1O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.449
CB1 binding score: -14.553
InChIKey:QHTSZFYEBNTNJE-UHFFFAOYSA-N
ID: 13188
SMILES:Cc1cc(O)c2c(c1CC(=O)OCC)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.116
InChIKey:UYCTXASKSPZOLC-UHFFFAOYSA-N