ID: 40489
SMILES:C(CCCCCCCCCCCCC)CCC(=O)OCc1cc(OC)c(C2C(C(O)(C)C)CCC(C)=C2)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 572.871
CB1 binding score: -14.676
InChIKey:RHABZZMRDJPEDT-UHFFFAOYSA-N
ID: 40490
SMILES:C(=CCCCCc1cc2c(c(O)c1)C1C(CCC(CO)=C1)C(C)(C)O2)C1(C)OC(C(C(O)=O)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.66
CB1 binding score: -15.728
InChIKey:JHZHZAWOGOGJTI-UHFFFAOYSA-N
ID: 40491
SMILES:O(C)c1c(OCc2ccccc2)cc2c3c1OC(C)(C)C1CCC(C)(C2(C#N)O3)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 405.494
CB1 binding score: -12.437
InChIKey:GFLASBWXAQEXOV-UHFFFAOYSA-N
ID: 40492
SMILES:C(C=C(C)C)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -17.689
InChIKey:WNPKXZGXEILAIQ-UHFFFAOYSA-N
ID: 40493
SMILES:c1cc2c(c(CC=C(C)C)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 296.454
CB1 binding score: -19.068
InChIKey:VIXBGVSZVGOVNJ-UHFFFAOYSA-N
ID: 40494
SMILES:Oc1c2c(c(O)c(C=CC(O)(C)C)c1)OC(C)(C)C1CCC(C=O)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -18.185
InChIKey:UUVRSGHKOJNLQM-UHFFFAOYSA-N
ID: 40495
SMILES:c1(C2Oc3cc(CCCCC)cc(O)c3C3C(CCC(C)=C3)C2(C)C)ccc(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.593
CB1 binding score: -14.122
InChIKey:AQFLAPIJBFKRMI-UHFFFAOYSA-N
ID: 40496
SMILES:C1(C)(C)Oc2c(cccc2CC(C)C)C2C1CC=C2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.416
CB1 binding score: -17.288
InChIKey:OMZCZKCKEUFUEL-UHFFFAOYSA-N
ID: 40497
SMILES:O(c1c(O)c(C)cc(CCCCC)c1)C=C(C=CC1=C(C)CCC(=O)C1(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -14.002
InChIKey:XOBOFOYZVWXQTE-UHFFFAOYSA-N
ID: 40498
SMILES:C=C=CC(C(C)C)CC(C)=CCCC1(CO)Oc2c(c(C)cc(O)c2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -13.351
InChIKey:WWKPTQVOORTURK-UHFFFAOYSA-N
ID: 40499
SMILES:CC1(C)C2CC=C(C)CC2c2c(c(CC=C(C)C)cc(C(=O)OC)c2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 354.49
CB1 binding score: -15.689
InChIKey:BIWFANXNQQZMPM-UHFFFAOYSA-N
ID: 40500
SMILES:C(CCCCc1cc2c(c(O)c1)C1C(C(O)(CO)CCC1C(C)C)C(=O)O2)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.574
CB1 binding score: -18.073
InChIKey:RNCUYBRCZFAHHO-UHFFFAOYSA-N
ID: 40501
SMILES:C1CC2(C)c3c(c(CCCCC)cc(O)c3)C=CC2C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.547
InChIKey:HBFZVTHSHJSUBF-UHFFFAOYSA-N
ID: 40502
SMILES:O1c2c(c(O)cc(CCC)c2)C2C3=C1C(C)(C)CC(CCCCC)C3(OC)C(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.625
CB1 binding score: -15.754
InChIKey:XSWCOZPGFKLVFX-UHFFFAOYSA-N
ID: 40503
SMILES:O=C1C=C2C(=O)OC3c4c(O)cc(CCCCC)cc4OC(C)(CCC12)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.445
CB1 binding score: -14.237
InChIKey:FCQSMWXSXHBCKA-UHFFFAOYSA-N
ID: 40504
SMILES:c1(CC2C(C(C)C)CCC(C)C2)c(CCCCC)cc2c(c1O)C=CC(CCC=C(CO)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.749
CB1 binding score: -14.605
InChIKey:WFUMZBQQKBNOAR-UHFFFAOYSA-N
ID: 40505
SMILES:c12c(CCCCC)cc(O)cc1CC(O)C(CCC=C(C)C)=CC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -14.444
InChIKey:HYCVUEMNIKNUOI-UHFFFAOYSA-N
ID: 40506
SMILES:C1C(C)=CC2C(C(C)=CCC=C(COC(CCc3ccc(O)c(O)c3)=O)C)CCC(C)=C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.619
CB1 binding score: -15.62
InChIKey:XIZRHTNWJHACQI-UHFFFAOYSA-N
ID: 40507
SMILES:c1(C=O)c(CCCCC)cc2c(c1O)OC(C)(C)C1C2CC(C)=CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.576
InChIKey:RFLIJOLIUZXLNN-UHFFFAOYSA-N
ID: 40508
SMILES:C1=C(C)CCC(C(C)C)=C1c1cc(CCCCC)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -17.334
InChIKey:RPALJBXXKYBZKO-UHFFFAOYSA-N
ID: 40509
SMILES:CC1(C)Oc2c(c(O)cc(CCC)c2)C2C1CCC(=C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.978
InChIKey:ZCVYXVHFOBOOMS-UHFFFAOYSA-N