ID: 54391
SMILES:C(CCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)=C)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.145
InChIKey:FHJKWLZUDZZCMJ-UHFFFAOYSA-N
ID: 54392
SMILES:C(CC(Oc1c(CCCCC)cc(OC)c2c1OC(C)(C)C1=CC(C)CCC1=C2)=O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -14.29
InChIKey:AYSMJFLYAJOQHU-UHFFFAOYSA-N
ID: 54393
SMILES:C(C)CCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 54394
SMILES:C(Cc1c(S(O)(=O)=O)c(CCC)cc2c1OC(C)(C)C1CCC(C)=CC12)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.517
CB1 binding score: -13.323
InChIKey:BHSAELQCBCCZEK-UHFFFAOYSA-N
ID: 54395
SMILES:C(C1(C)CCC(c2c(O)cc(CC)cc2O)CC1(C)C)C=C(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.631
CB1 binding score: -16.139
InChIKey:HDDXJWFVFJVDIC-UHFFFAOYSA-N
ID: 54396
SMILES:OC1C(O)(CO)c2c(c3c(cc2)-c2c(cc(CCCCC)cc2O)OC(C)(C)C3CC=C(C)CCC=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 548.764
CB1 binding score: -15.303
InChIKey:AUVVCBXMNJTVQQ-UHFFFAOYSA-N
ID: 54397
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 54398
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C(=O)O)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 54399
SMILES:C=C(C)C1C(c2c(OC(=O)C)cc(CCCCC)cc2OC(C)=O)CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -15.849
InChIKey:IMNQSFXJNRVRIZ-UHFFFAOYSA-N
ID: 54400
SMILES:c1(CC=C(CC2C(CO)C=CC(=O)C2)CCCC)cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.673
CB1 binding score: -14.899
InChIKey:DJMKIQRETPQLNU-UHFFFAOYSA-N
ID: 54401
SMILES:O1C(CO)C(O)C(O)C(O)C1Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.61
CB1 binding score: -17.035
InChIKey:RLNFNROPMJJITF-UHFFFAOYSA-N
ID: 54402
SMILES:c12c(cc(O)cc1)OC(C)(C)C1CC=C(CO)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -17.198
InChIKey:MAPAGNXEJQTXMR-UHFFFAOYSA-N
ID: 54403
SMILES:C1CC2(C(C)(C)O)Oc3c(c(O)cc(CCCCC)c3)C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.56
InChIKey:ZWQVKXCTWQVTPU-UHFFFAOYSA-N
ID: 54404
SMILES:C(CCCCCCC=CCCCCCCCC)C(=O)OCc1cc(OC)c(C2C(C(C)=C)CCC(C)=C2)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 536.841
CB1 binding score: -15.116
InChIKey:JPNYVYKTACVUFG-UHFFFAOYSA-N
ID: 54405
SMILES:Oc1c(OC)c(CCC)c2c(c1)OC(C)(C)C1CCC(C(O)=O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -13.544
InChIKey:MLBFMWDGVVQRIU-UHFFFAOYSA-N
ID: 54406
SMILES:c1(OC)c(Cc2ccc(Cl)cc2Cl)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 433.375
CB1 binding score: -16.502
InChIKey:VBBFTDXWCWIWDH-UHFFFAOYSA-N
ID: 54407
SMILES:CCCCCc1cc2c(c(O)c1)C1=C(CC=C(C)C)C(=O)OC1=CC(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -14.89
InChIKey:MRLUESYOGJTSBL-UHFFFAOYSA-N
ID: 54408
SMILES:C1(C)(O)C2CC3(C)C(C1OC(=O)C)Oc1cc(CCCCC)cc(c31)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -17.967
InChIKey:MEEVOQCDOGIYGA-UHFFFAOYSA-N
ID: 54409
SMILES:O=C(C=Cc1cc2c(c(O)c1C)OC(C)(C)C1CC=C(C)CC21)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -13.603
InChIKey:GEPOSQJRTZDYKD-UHFFFAOYSA-N
ID: 54410
SMILES:c1c(C(CC)=O)c2c(c(O)c1C)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -14.347
InChIKey:PLYNKWQTCSNLSY-UHFFFAOYSA-N
ID: 54411
SMILES:C(C)(=C)C1C(c2c(O)cc(CCC)cc2O)CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.57
InChIKey:LURPWARMGYBTPS-UHFFFAOYSA-N