ID: 19762
SMILES:CC(=CCCC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 428.613
CB1 binding score: -18.353
InChIKey:QNRJPRFPLQBROG-UHFFFAOYSA-N
ID: 19763
SMILES:CC(=O)Oc1c2c(cc(C)c1)OC(CCC1C(C)(C)O1)(C)C(C)(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -14.92
InChIKey:FTAXMKFGXHHMKD-UHFFFAOYSA-N
ID: 19764
SMILES:O1C(C)(C)C2CCC(C)=CC2c2c1cc(CCCc1ccc(C=O)cc1)o2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.485
CB1 binding score: -13.502
InChIKey:KXMOWNVXWARNTD-UHFFFAOYSA-N
ID: 19765
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C=C(C)C(O)CC2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.534
InChIKey:INKUWBOHCFHXTJ-UHFFFAOYSA-N
ID: 19766
SMILES:C1CC(O)(C)C2C1c1c(O)cc(CC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -14.108
InChIKey:WPPNWOYXSZQKGN-UHFFFAOYSA-N
ID: 19767
SMILES:c1(O)c(OC(C(CC)C)=O)cc(C)c(O)c1Cc1c(C)c(C(=O)OC)c(O)c2c1OC(C(=C)C)CCC1=CC2CC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 592.729
CB1 binding score: -14.109
InChIKey:HTXAURYIHSIVGC-UHFFFAOYSA-N
ID: 19768
SMILES:C1C(C)=CC(c2ccc(CCCCC)cc2)C(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 19769
SMILES:OC1C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 250.338
CB1 binding score: -17.226
InChIKey:KLQUYLIHCSMIPD-UHFFFAOYSA-N
ID: 19770
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C(O)=O)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 19771
SMILES:C(=O)(OCCc1c2cc(c(OC)c1)OC(C)(C)C1C2C=C(C)CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.865
InChIKey:BLVWFYLOFRDJKH-UHFFFAOYSA-N
ID: 19772
SMILES:O(C(C)=O)c1c(OC)c2c(c3c1C(=O)OC3C=C(C)C)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.509
CB1 binding score: -14.605
InChIKey:GQYGWAAFXCSMCE-UHFFFAOYSA-N
ID: 19773
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: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 19774
SMILES:C(C)CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 19775
SMILES:C1(=O)C=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -18.452
InChIKey:LPQMFAVBXYKLOA-UHFFFAOYSA-N
ID: 19776
SMILES:c1c(O)c2c3c(c(CC=C(C)C)c(O)cc3c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.512
CB1 binding score: -15.195
InChIKey:HDTQKTVBHDIKJX-UHFFFAOYSA-N
ID: 19777
SMILES:Oc1c2c(cc(C)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.619
InChIKey:MMZAEMNNHWYQKW-UHFFFAOYSA-N
ID: 19778
SMILES:Oc1c2cccc(C)c2c(C)c2c1OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 322.448
CB1 binding score: -13.436
InChIKey:MHNDXNZINWCFQY-UHFFFAOYSA-N
ID: 19779
SMILES:CC(C)=CCCC(C)=CCc1c(O)c(C2C(C)CC(C)C=C2C)c(O)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -7.952
InChIKey:YQRLGXITLBEKHH-UHFFFAOYSA-N
ID: 19780
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 19781
SMILES:c1(O)c2c(cc(CCCC)c1)OC(C)(C)C1C(C=C(C)C(=O)C1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -12.363
InChIKey:MKMDJWVYGVOCOQ-UHFFFAOYSA-N
ID: 19782
SMILES:C1CC(C)=CC(c2ccc(CCCCC)c(O)c2)C1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -17.701
InChIKey:GLWWBCAZFMPOBS-UHFFFAOYSA-N