ID: 52039
SMILES:C12C(C)(Oc3c(c(OC(=O)C)cc(CCCCC)c3)C1)C(OC(=O)C)CC(C(=C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -15.336
InChIKey:QKDFWXUEWDPBMQ-UHFFFAOYSA-N
ID: 52040
SMILES:C1C=C([CH])CC2c3c(O)cc(CCC)cc3OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -14.552
InChIKey:SKMPCZQUTIRRBJ-UHFFFAOYSA-N
ID: 52041
SMILES:C(CCCC)c1cc(O)c(C2C(C(=C)C)CCC(C)C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.563
InChIKey:CODIXLGYYWMJFS-UHFFFAOYSA-N
ID: 52042
SMILES:C12(C)Oc3cc(C(C)(C)OC)cc(O)c3CC1CC(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.402
CB1 binding score: -16.254
InChIKey:RQGDXDCWCUOOOY-UHFFFAOYSA-N
ID: 52043
SMILES:C1CC(C(C)C)C(c2c(O)cc(CC)cc2O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -18.748
InChIKey:LLAAZDYTZYGRPH-UHFFFAOYSA-N
ID: 52044
SMILES:OC1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C(=O)O2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -15.083
InChIKey:MRCUWHJYODJUPR-UHFFFAOYSA-N
ID: 52045
SMILES:C1(C)=CC2c3c(cc(CCCCCO)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.915
InChIKey:LNEDOGQBWSHVNR-UHFFFAOYSA-N
ID: 52046
SMILES:C12(C)Oc3c(cc(C(O)C(C)OC(C)=O)c(O)c3)CC1C(CCC=C(C)C)(C)C(Br)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 509.481
CB1 binding score: -14.578
InChIKey:SDODMTPMYSJJAD-UHFFFAOYSA-N
ID: 52047
SMILES:CC1(C)C=Cc2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -20.081
InChIKey:XLSYFQOJMWXOCT-UHFFFAOYSA-N
ID: 52048
SMILES:c12c(c(CCCCCC)cc(O)c1)OC(C)(C)c1c2cc(C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -15.396
InChIKey:DHXCHGGKRBXXKP-UHFFFAOYSA-N
ID: 52049
SMILES:c1(CCCCC)cc2c(c(OC)c1)C1C(C(C)(OC(C)=O)CCC1C(C)C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -18.332
InChIKey:AIMFZEWHNLSRPU-UHFFFAOYSA-N
ID: 52050
SMILES:C12(O)c3c(O)c(C(=O)O)c(CCC)cc3OC(C)(C)C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -15.415
InChIKey:FCNWBEMHYWDGSJ-UHFFFAOYSA-N
ID: 52051
SMILES:O(c1ccc2c(c1)OC(C)(C)C1CC=C(C)C(O)CC1C(C)(C)O2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.504
InChIKey:IEFZLVLPDHSPPA-UHFFFAOYSA-N
ID: 52052
SMILES:C(c1c2c(cc(C)c(O)c2OC)c2c(c1O)OC(C)(C)C1CC(OC(=O)C)C(C)(O)CC12)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 486.605
CB1 binding score: -16.741
InChIKey:HBTPLXARBIZHNI-UHFFFAOYSA-N
ID: 52053
SMILES:C(C=C(C)C)c1c(C)cc(OC)c(C)c1-c1cc(CCCCC)ccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.546
CB1 binding score: -13.39
InChIKey:KZNFGPVDVJRCIU-UHFFFAOYSA-N
ID: 52054
SMILES:c1(O)cc2c(cc1CCCCC)OC(C)(C)C1C2C=C(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.599
InChIKey:BCCTWXFPQLTOOX-UHFFFAOYSA-N
ID: 52055
SMILES:c1(O)c(O)cc(C=CC(=O)Oc2c3c(cc(CCCCC)c2)OC(C)(C)C2C3C=C(C)CC2)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.612
CB1 binding score: -15.774
InChIKey:YLSAGKQYDHSWRP-UHFFFAOYSA-N
ID: 52056
SMILES:C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.175
InChIKey:RVWTXSLOGRTPEH-UHFFFAOYSA-N
ID: 52057
SMILES:C1C2(C)Oc3c(c(O)cc(CCCCC)c3)C3OC(C)(CCC12)C=C(C)C(C)C3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.197
InChIKey:QVVKENVGXFXLIJ-UHFFFAOYSA-N
ID: 52058
SMILES:C(CC)CCCc1cc2c(c(O)c1)C1CC(CO)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.585
InChIKey:NZUUGMLOXJAJLR-UHFFFAOYSA-N
ID: 52059
SMILES:CC(CCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC(O)C(=C)C1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -15.055
InChIKey:FOYDAMNKESTTBK-UHFFFAOYSA-N