ID: 90448
SMILES:O=C(C(=O)CCCCCCCC)c1c(O)cc(OCC=C(C)C)cc1C1=C(C)CCC(C(C)=C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.661
CB1 binding score: -15.369
InChIKey:USPJLFXGOXIPEJ-UHFFFAOYSA-N
ID: 90449
SMILES:CC12CC3c4c(O)cc(CCCCCBr)cc4OC(C)(C)C3CC1C(C)(O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 465.472
CB1 binding score: -11.794
InChIKey:BTFIEBNEFODMKB-UHFFFAOYSA-N
ID: 90450
SMILES:c1(OC)cc(OC)c(OC)c2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -17.786
InChIKey:KRAAUVWJMATKGE-UHFFFAOYSA-N
ID: 90451
SMILES:C12C(c3c(cc(CCCCC)cc3O)O1)CCC2(O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -18.656
InChIKey:NAUZBUFMQFLJEH-UHFFFAOYSA-N
ID: 90452
SMILES:C1C2(C(C)C(=O)CC3C(C)(C)CCCC32C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.306
InChIKey:OCXJXYXQJKPGGG-UHFFFAOYSA-N
ID: 90453
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 90454
SMILES:O=C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -18.657
InChIKey:FDLOCOCZVCOHMB-UHFFFAOYSA-N
ID: 90455
SMILES:C(CCCC)c1ccc(O)c(CC=C(C)CCC=C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.467
InChIKey:TVERKJMGSVKUPT-UHFFFAOYSA-N
ID: 90456
SMILES:C(C(c1c2c(ccc1O)OC(C)(C)C1CC=C(C)C1C2O)CCCCCCCCCCCCC)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 486.737
CB1 binding score: -12.965
InChIKey:BSXGUTDJUUXUBR-UHFFFAOYSA-N
ID: 90457
SMILES:C(C(=O)C)Cc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 316.441
CB1 binding score: -16.98
InChIKey:AQQGMOYUEFOKED-UHFFFAOYSA-N
ID: 90458
SMILES:CC(C)=CCCC1(C)Oc2cc(CCCCC)cc(OC)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.06
InChIKey:KSDSETBZUIJIFF-UHFFFAOYSA-N
ID: 90459
SMILES:S(=O)(Oc1c(CCCC)cc(O)c2c1OC(C)(CCC=C(C)C)C=C2)(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.533
CB1 binding score: -15.557
InChIKey:MYHZRJAWDIMYRO-UHFFFAOYSA-N
ID: 90460
SMILES:C1(C(C)C)C2c3c(O)cc(CCCC=CCC)cc3OC(C)(CC2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -13.786
InChIKey:KXUAZOSBISVDQY-UHFFFAOYSA-N
ID: 90461
SMILES:C1(O)C(O)C(CO)=CC2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -14.827
InChIKey:VOCOHBOPKHRKCT-UHFFFAOYSA-N
ID: 90462
SMILES:C1C(C(C)(C)O)Oc2c(c(O)cc(CCCCC)c2)C2C=C(CCC=C1C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -15.906
InChIKey:MATDYSRZGIFBKI-UHFFFAOYSA-N
ID: 90463
SMILES:c12c(OC)c(O)c(CC(=O)CCCCCCCCCCCCCCC)cc1OC(C)(C)C1C2C(O)C(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 560.816
CB1 binding score: -15.089
InChIKey:SEZUKMGIOCKNOA-UHFFFAOYSA-N
ID: 90464
SMILES:C1C(C(=C)C)C(c2c(O)cc(CCCC)cc2OS(=O)(O)=O)C(O)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.505
CB1 binding score: -16.299
InChIKey:ACLUTZZMFCPHQL-UHFFFAOYSA-N
ID: 90465
SMILES:c1(O)cc(CCCCC)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.677
InChIKey:YWEZXUNAYVCODW-UHFFFAOYSA-N
ID: 90466
SMILES:CC(=CCCC(CO)=CCc1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -18.652
InChIKey:YGSDIXSCKNPHAP-UHFFFAOYSA-N
ID: 90467
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(C)ccc3C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.037
InChIKey:TWNNHTGNOPUEHO-UHFFFAOYSA-N
ID: 90468
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(C(C)(C)O2)CCC(CO)=CCCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -14.375
InChIKey:PGDMGASTWOCKCL-UHFFFAOYSA-N