ID: 50800
SMILES:C1(O)C(C)=C2C(C(C)(C)Oc3c(c(O)cc(CCC)c3)C2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.247
InChIKey:ZUBKLCPMCAPIII-UHFFFAOYSA-N
ID: 50801
SMILES:C12(C)CCC3(C)C(=C(C(C(O)=O)C)C(=O)C3)C1Cc1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -16.134
InChIKey:UYRHGFCDMXMPBB-UHFFFAOYSA-N
ID: 50802
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2CC(O)(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -17.774
InChIKey:GKYGKYSJIDSYCQ-UHFFFAOYSA-N
ID: 50803
SMILES:c1c(O)cc(CCCCC)c(C2C(C(C)=C)CCC(C)=C2)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -16.438
InChIKey:USIWXZGYBVQYOB-UHFFFAOYSA-N
ID: 50804
SMILES:c12c(O)cc(CC)cc1OC(C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 222.284
CB1 binding score: -17.334
InChIKey:ATDZGQIIAQHUDK-UHFFFAOYSA-N
ID: 50805
SMILES:Oc1cc(CCCC)c(O)c2c1OC1(C)CCC3C(C)(C)C=CCC3(C)C2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -14.452
InChIKey:TXKYXNUFPVVZID-UHFFFAOYSA-N
ID: 50806
SMILES:C1C=C(C)CC2C1C(C)(C)Oc1c2c(O)c(CC(O)C(=C)C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.359
InChIKey:PSLHGZZZFYEBEU-UHFFFAOYSA-N
ID: 50807
SMILES:C1CC(C(C)C)C(c2c(O)cc(CCCCCO)cc2O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.781
InChIKey:CTZSPTCATADZMP-UHFFFAOYSA-N
ID: 50808
SMILES:CC(=CCc1c(O)cc(CCC)c(C(O)=O)c1O)CCC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 400.559
CB1 binding score: -18.074
InChIKey:XJNWDFKQIJOXOC-UHFFFAOYSA-N
ID: 50809
SMILES:C(CCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)Cc1ccc(O)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.619
CB1 binding score: -13.228
InChIKey:IJZUAWSRGARNPL-UHFFFAOYSA-N
ID: 50810
SMILES:Oc1c(CC=C(C)CCC=C(C)C)ccc(CCCCC)c1
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: 50811
SMILES:C12(N=C=S)C(CCC1C)C(C)(C)Oc1cc(CCc3ccccc3)cc(O)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 393.552
CB1 binding score: -14.615
InChIKey:WFBHRCZWUFCJHJ-UHFFFAOYSA-N
ID: 50812
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(C)O2)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -19.296
InChIKey:GEMPDHCIWOATES-UHFFFAOYSA-N
ID: 50813
SMILES:CC1=CC(=O)C2C(C1)c1c(O)cc(CCCCC)cc1OC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -14.477
InChIKey:WCKUJHIAUSOMKG-UHFFFAOYSA-N
ID: 50814
SMILES:C(C)(C)=CCCC(=CCCC(=CCC12CCC(C)CCc3cc(ccc3)Oc3c1c(O)cc(CCCCC)c3)O2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 556.831
CB1 binding score: -17.61
InChIKey:ZVPLRLVXGBZSPZ-UHFFFAOYSA-N
ID: 50815
SMILES:CC(=C)C1C(c2c(O)c(O)cc(CCCCC)c2)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.334
InChIKey:VEBHZTTZGZYZIW-UHFFFAOYSA-N
ID: 50816
SMILES:O1c2c(c(O)cc(CCCCC)c2O)C2C(C1(C)C)CC=C(C(O)=O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -15.927
InChIKey:QLANXRHKTOAOMV-UHFFFAOYSA-N
ID: 50817
SMILES:CC(=CC)C(=O)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -16.061
InChIKey:DSFGDIOPODDRJY-UHFFFAOYSA-N
ID: 50818
SMILES:C1(C)c2c(cc(C)c(O)c2)-c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -16.197
InChIKey:OHDXBYOMIKYWHS-UHFFFAOYSA-N
ID: 50819
SMILES:C(CCC)Cc1ccc2c(c1O)C1CC(C)=CCC1C(C)(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.503
InChIKey:CCJVKVHRBLRPNQ-UHFFFAOYSA-N
ID: 50820
SMILES:C(C=C(C)C)CC(=CCc1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N