ID: 40342
SMILES:C(c1cc2c(cc1)C(C)(C)Oc1c-2cccc1)CCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 266.384
CB1 binding score: -15.434
InChIKey:ZIZPDTJZOKKWLO-UHFFFAOYSA-N
ID: 40343
SMILES:C(CCCC)c1cc2c(c(O)c1C(O)=O)C1C(C(C)(C)O2)CCC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.628
InChIKey:BQZDJENNXPKFQQ-UHFFFAOYSA-N
ID: 40344
SMILES:C1=C(C)C2C(C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2O)C2C(O)(C)C(=O)C(C)(CC2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.65
CB1 binding score: -15.667
InChIKey:PPAHKEXFSMTFJV-UHFFFAOYSA-N
ID: 40345
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2(O)C(C(C)(C)C(C(=C)C)C2)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.388
InChIKey:RGTJUZOTYSVRCZ-UHFFFAOYSA-N
ID: 40346
SMILES:c1(C)c(OC)c2c(cc1CCCCC)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.527
InChIKey:QPYPVRWKOKTZFG-UHFFFAOYSA-N
ID: 40347
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2CC(C)(O)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.25
InChIKey:PGZISGZFEFJPOZ-UHFFFAOYSA-N
ID: 40348
SMILES:O1c2cc(CCCCC)cc(O)c2C2C3C(CCC(C)(O)C2(O)CC3(C)C)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -15.74
InChIKey:IWHAPGLKUCUBKS-UHFFFAOYSA-N
ID: 40349
SMILES:C1(C(C=S)=C)CCC2=CC(OC2=O)c2c(CCCCC)cc(O)c3c2OC(C)(C)C3C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.605
CB1 binding score: -13.657
InChIKey:KOVHUJURKWDJGT-UHFFFAOYSA-N
ID: 40350
SMILES:C(C=C(CCC=C(C)C)C)CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.626
CB1 binding score: -16.605
InChIKey:MUCNVTSFRQYCDF-UHFFFAOYSA-N
ID: 40351
SMILES:c1(C(C)C)c(O)c(C(=O)CC(C)C)c2c(c1)C1C(C(C)(C)O2)CC(O)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -14.178
InChIKey:ZLPMANCZGKMJOL-UHFFFAOYSA-N
ID: 40352
SMILES:Oc1c2c(cc(CCCCC)c1O)OC(C)(C1CC(O)C(O)(C)CC1)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -15.034
InChIKey:UNIZTEYHVLIISR-UHFFFAOYSA-N
ID: 40353
SMILES:C1(OC(=O)C)CC(CCC=C(C=O)C)(C)Oc2c1c(O)c(C(=O)O)c(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.513
CB1 binding score: -13.75
InChIKey:SSQCSOLXBSCNKT-UHFFFAOYSA-N
ID: 40354
SMILES:CC1C(=C)C2C(c3c(O)cc(CCCCC)cc3O1)C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -14.792
InChIKey:KLRPKJJJJSXKMV-UHFFFAOYSA-N
ID: 40355
SMILES:CC(C)C1=CC2=C(C3CC3C(C)(C)O2)C2=C(C1=O)C=CC(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -15.219
InChIKey:XRCZKWXXOJWXFA-UHFFFAOYSA-N
ID: 40356
SMILES:COC(C1=CC2C(C(C)(C)Oc3cc(CCc4ccc(OC)cc4)cc(O)c31)CCC2C(C)C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.629
CB1 binding score: -15.109
InChIKey:YQCJVLYPIWEYKL-UHFFFAOYSA-N
ID: 40357
SMILES:CC(=CCc1c2c(c(O)cc1O)OC(C)(C)C1CC=C(C)CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 328.452
CB1 binding score: -15.875
InChIKey:DYXBPXKQBXDMBI-UHFFFAOYSA-N
ID: 40358
SMILES:CC(C)(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.594
InChIKey:WDNYYEUHFBXJHY-UHFFFAOYSA-N
ID: 40359
SMILES:C(O)C=Cc1cc(OC)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -17.144
InChIKey:KOYIZWZMCRSBIX-UHFFFAOYSA-N
ID: 40360
SMILES:Oc1c2c(cc(CCCCC)c1O)OC(C)(C)C1=CCC(O)(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.899
InChIKey:IZQWQERAVZAAIQ-UHFFFAOYSA-N
ID: 40361
SMILES:C1C(=C)C2C(CCC(C)=CCCC(C)=CC1)C(C)(C)Oc1cc(CCc3ccccc3)cc(O)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.697
CB1 binding score: -14.108
InChIKey:JDKSDUQRRJEZHX-UHFFFAOYSA-N
ID: 40362
SMILES:C(Cc1cc(O)cc(C2C=C(C)CCC2C(=C)C)c1)(C(CCC=C(C)C)=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.6
CB1 binding score: -11.329
InChIKey:UJZSNOIWSPGOSZ-UHFFFAOYSA-N