ID: 53551
SMILES:C1C=C(C=O)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.446
InChIKey:JWBNRQFKVWTPSU-UHFFFAOYSA-N
ID: 53552
SMILES:c1(O)cc(CC=C(CCC=C(C)C)C)c(O)c(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.009
InChIKey:XKWLUCZAWFMDAL-UHFFFAOYSA-N
ID: 53553
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(O)(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 53554
SMILES:CC(COC(=O)C)=C1CC(C)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -16.537
InChIKey:MJECJMNBMQUMJV-UHFFFAOYSA-N
ID: 53555
SMILES:c1(CCCOC)ccc(O)c2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.608
InChIKey:RGYRVZUULVLVQL-UHFFFAOYSA-N
ID: 53556
SMILES:c1c(C=O)ccc2c1-c1c(O)c(O)c(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.419
CB1 binding score: -15
InChIKey:INNUWRCLZABLAS-UHFFFAOYSA-N
ID: 53557
SMILES:C(CC(=CCCC1(C)Oc2c(c(O)c(C(=O)O)c(CCCCC)c2)C=C1)C)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -17.872
InChIKey:PIWDPVFUVKGKSR-UHFFFAOYSA-N
ID: 53558
SMILES:c1(C=O)c(OC2C(O)C(O)C(O)C(CO)O2)c(OC)c2c(c1CC=C(C)C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 532.63
CB1 binding score: -14.723
InChIKey:DZLJISSCHGCACM-UHFFFAOYSA-N
ID: 53559
SMILES:C1(O)C2C3C(c4c(cc(CCCCC)cc4O)OC2(C)CO)C(O)(CO3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.465
CB1 binding score: -13.242
InChIKey:XZMIORVYMDNZCW-UHFFFAOYSA-N
ID: 53560
SMILES:Oc1c2c(c(C(O)=O)cc1CCCCC)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.91
InChIKey:BCINPDBXVDYUAG-UHFFFAOYSA-N
ID: 53561
SMILES:C(CCCCCCc1cc(N)c(C2C(C(C)=C)CCC(C)=C2)cc1)NCCO
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.608
CB1 binding score: -11.302
InChIKey:TXUYULPWNKJSIF-UHFFFAOYSA-N
ID: 53562
SMILES:CC1(C)Oc2c(c(O)cc(CCCCCC)c2)-c2ccccc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -16.309
InChIKey:NDDFKAKBECGHKU-UHFFFAOYSA-N
ID: 53563
SMILES:C12=C(c3c(cc(CCCCC)cc3OC)OC1(C)C)C(=O)C1C(C)(C=CC(C)(C)O1)C2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -16.403
InChIKey:YBPZDNBHZRGYHJ-UHFFFAOYSA-N
ID: 53564
SMILES:Oc1cc(CCCCC)cc(O)c1C1C(C(CO)C)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.483
InChIKey:NOBVLNKOMCEFJL-UHFFFAOYSA-N
ID: 53565
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 53566
SMILES:C1C2C(C)(C)Oc3cc(CCCCC)c(C=O)c(c32)C(CCC=C(C)C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -14.651
InChIKey:HHPGJOCBTOMIHC-UHFFFAOYSA-N
ID: 53567
SMILES:C(C)(CCCc1cc2c(c(O)c1C=O)OC(C)(CCC=C(C)C)C=C2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -14.993
InChIKey:GGIUBZCREVZKDD-UHFFFAOYSA-N
ID: 53568
SMILES:OC1C(=C)CCC(C(C)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.555
InChIKey:KRDFSSLCSXIAKV-UHFFFAOYSA-N
ID: 53569
SMILES:C(=C)(C1C(c2c(O)cc(O)cc2O)C=C(C)CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.957
InChIKey:ZSBGNUPOFUYDMQ-UHFFFAOYSA-N
ID: 53570
SMILES:c12c(CCCCC)cc(O)cc1OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.133
InChIKey:NWNXONBQZMRACD-UHFFFAOYSA-N
ID: 53571
SMILES:CC1=CC(c2c(O)cc(CCCCCO)cc2O)C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.781
InChIKey:CTZSPTCATADZMP-UHFFFAOYSA-N