ID: 9472
SMILES:C(CCCC)c1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1OC1OC(CO)C(O)C(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.609
CB1 binding score: -16.524
InChIKey:UBRKVKMHEXZLBS-UHFFFAOYSA-N
ID: 9473
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C3C2C(OC3=O)C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -14.802
InChIKey:LBITZKJCFNLOCH-UHFFFAOYSA-N
ID: 9474
SMILES:O=C(C(C)=CC)Oc1cc(OC)c(C2C=C(C)CCC2C(C)=C)c(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -16.247
InChIKey:ARZFYCYWKTYPAD-UHFFFAOYSA-N
ID: 9475
SMILES:CCCCCc1cc(O)c(C2C=C(CCC=C(C)C)C(=O)O2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.854
InChIKey:ZGNBDHDIIXUCDX-UHFFFAOYSA-N
ID: 9476
SMILES:C1CC2(C)C(c3c(O)cc(CCCCC)cc3O)OC(O)(C1)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -15.138
InChIKey:VNDKSUMDDMHNBH-UHFFFAOYSA-N
ID: 9477
SMILES:Oc1c(CC=C(C)CCC=C(C)C)c(-c2cc3c(cc2)OC(C)(C)C=C3)c(C)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.577
CB1 binding score: -16.438
InChIKey:JIFOYBKDFLPEGW-UHFFFAOYSA-N
ID: 9478
SMILES:C(CCC)Cc1ccc(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: 9479
SMILES:C(c1c(OC)c2c(cc1C)OC(CO)(C)C2)CCO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 266.337
CB1 binding score: -17.369
InChIKey:PTCJJKDAQBDQBI-UHFFFAOYSA-N
ID: 9480
SMILES:C(CCc1cc2c(c(O)c1)C1CC(C)(CCC1C(CCC=C(C)C)C)O2)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -12.883
InChIKey:HJZZHKVNYORPHD-UHFFFAOYSA-N
ID: 9481
SMILES:C12C=C(C)C(O)CC1C(C)(C)Oc1c2c(O)cc(C2OC(=O)C(C)(O)C2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.433
CB1 binding score: -17.318
InChIKey:YKWFEJZKDCDLIR-UHFFFAOYSA-N
ID: 9482
SMILES:CC12C3CCC(C)C31c1c(O)cc(C)cc1OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -14.224
InChIKey:YWLYNMUEGICQPN-UHFFFAOYSA-N
ID: 9483
SMILES:CCC(Cc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.608
InChIKey:GGLDFPKGLVSAPS-UHFFFAOYSA-N
ID: 9484
SMILES:O1C(=O)C(COC2OC(CO)C(O)C(O)C2O)=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 522.591
CB1 binding score: -15.164
InChIKey:DRINYMIXAPBREH-UHFFFAOYSA-N
ID: 9485
SMILES:C12C(CO)=CCC(C1)C(C)(C)Oc1c2cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -15.713
InChIKey:KSXQGDYLJVANDA-UHFFFAOYSA-N
ID: 9486
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(C)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 9487
SMILES:CC(Oc1c(CC(C)C)c(OC)c(O)c2c1OC(C)(C)C1CC=C(C)CC21)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.295
InChIKey:BVLQPZDZDVNHEE-UHFFFAOYSA-N
ID: 9488
SMILES:C1C(C)C=C2C(C2O)C(C)(C)Oc2c(O)c(CCCCC)c(C(=O)O)c(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.476
CB1 binding score: -16.281
InChIKey:GSPRLMHDPSDETA-UHFFFAOYSA-N
ID: 9489
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 9490
SMILES:C(=O)(OC)c1ccc(O)c(C2C=C(C)CCC2C(=C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -18.003
InChIKey:VPSWYBOTFPOXLO-UHFFFAOYSA-N
ID: 9491
SMILES:C12=C(c3ccccc3)C(=O)C3(C(C)C)C(C(C)(C4=O)C5=CC(C)(C)OC(C)(C)C5CCC(C)(C13O)O4)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 548.72
CB1 binding score: -15.192
InChIKey:OVECPMDLZJJBNS-UHFFFAOYSA-N
ID: 9492
SMILES:C(CCCCC)c1cc2c(c(O)c1)C1=C(C(C)(C)O2)CC(C)=CCC=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -15.929
InChIKey:VJAXPUJLZYDUFX-UHFFFAOYSA-N