ID: 68692
SMILES:C=C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 68693
SMILES:OC(c1c(CCCCC)cc(O)c2c1OC1(CCC3C(C)(C)C21)C3CC(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -12.226
InChIKey:IUESWDQRRMHPMR-UHFFFAOYSA-N
ID: 68694
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C=C(C)C(O)CC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.534
InChIKey:INKUWBOHCFHXTJ-UHFFFAOYSA-N
ID: 68695
SMILES:c1(O)cc(CCCCC)cc2c1C1C(CC(C)(OC)O1)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -12.366
InChIKey:ZJPJBKZDAVQKFU-UHFFFAOYSA-N
ID: 68696
SMILES:C(CCCCC)CCCCCc1cc2c(c(C(O)=O)c1)C1C(CC=C(C)C1=O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -14.641
InChIKey:LPAOEGOWIDCYDO-UHFFFAOYSA-N
ID: 68697
SMILES:C1(=O)C2(CC(Br)=C(C)C)Oc3c(c(O)cc(CCCCCCC)c3)C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 423.347
CB1 binding score: -15.716
InChIKey:AVAYPCBQUSOXQK-UHFFFAOYSA-N
ID: 68698
SMILES:c12c(c(C(C(=O)C(C)C)=O)c(O)cc1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -16.352
InChIKey:ONFCLBSRKQVMFI-UHFFFAOYSA-N
ID: 68699
SMILES:C(CCC(C)C1CCC(C=O)C1COC(CC(C)C)=O)C(=CCc1c(O)c(C)cc(O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.639
CB1 binding score: -17.212
InChIKey:LAYIZIOJHLAPFO-UHFFFAOYSA-N
ID: 68700
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1C(C(O)(C)C)CCC(C)=C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -14.553
InChIKey:IITXANWTEDAHDN-UHFFFAOYSA-N
ID: 68701
SMILES:O(C1CC(OC(=O)C)C(C)=CC2c3c(cc(C)cc3O)OC(C)(C)C2C(O)CC1C)C(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.567
CB1 binding score: -16.849
InChIKey:RMVZFMJOXLNIAZ-UHFFFAOYSA-N
ID: 68702
SMILES:c1(CCCCC)cc(O)c(C(=O)Cc2cc(C)co2)c2c1OC(C)(C)C1CCC(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.608
CB1 binding score: -15.988
InChIKey:DYPNWNHSVKEZSD-UHFFFAOYSA-N
ID: 68703
SMILES:C(CCC)Cc1cc2c(cc1O)C1CC(C)(O2)OC1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -15.434
InChIKey:CAZCPFHDUOXASA-UHFFFAOYSA-N
ID: 68704
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C(C(C)C)CCC(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.059
InChIKey:DFDPTHLLXVCMEU-UHFFFAOYSA-N
ID: 68705
SMILES:C1=CC(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -20.081
InChIKey:XLSYFQOJMWXOCT-UHFFFAOYSA-N
ID: 68706
SMILES:C(C1CC(C(C)C)C(c2c(O)cc(CCCCC)cc2)C=C(C)CC1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.621
CB1 binding score: -14.612
InChIKey:BTEDQHMMZHZGBD-UHFFFAOYSA-N
ID: 68707
SMILES:c12c(cc(C)cc1O)OC(C)(C)C(O)CC1(O)C(C)(C)Oc3cc(O)cc(C)c3C1CC2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -13.828
InChIKey:YJHXVARBSBODQA-UHFFFAOYSA-N
ID: 68708
SMILES:c12c(ccc(C)c1)C(C)(CCC(=O)C(C)C)Oc1c-2c(O)cc(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.447
CB1 binding score: -9.429
InChIKey:OOKRBNNTDJJNND-UHFFFAOYSA-N
ID: 68709
SMILES:C=C1CC2C(C(C)(C)Oc3c2c(OC)cc(CCCCC)c3O)C2CC1(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -14.855
InChIKey:HCYSPKRMZZYDHR-UHFFFAOYSA-N
ID: 68710
SMILES:COc1cc(CCCCC)cc2c1C1C=C(C=CC(=O)C)C(O)CC1(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -14.687
InChIKey:GBVCABFELIXUSM-UHFFFAOYSA-N
ID: 68711
SMILES:Oc1cc(CCCCC)c(CC=C(C)CCC=C(C)C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17
InChIKey:CUQLLVPNTXISJP-UHFFFAOYSA-N
ID: 68712
SMILES:CCCCc1ccc(O)c(C2C=C(C)CCC2C(C)=C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.486
InChIKey:LQQIXCZQOFWRDS-UHFFFAOYSA-N