ID: 59431
SMILES:C1(=C)CCC2C(C)(C)Oc3cc(CCCC)cc(O)c3C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.426
InChIKey:BPKMSVVHFPYXER-UHFFFAOYSA-N
ID: 59432
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -18.766
InChIKey:OKXUDFJPZMVBEH-UHFFFAOYSA-N
ID: 59433
SMILES:C1CC(C)C(C)(C)C(c2cc(CC(c3cc(CC(C)C)cc(O)c3O)=O)cc(CCCCC)c2)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.717
CB1 binding score: -14.841
InChIKey:RPZRSGMJQCMRHQ-UHFFFAOYSA-N
ID: 59434
SMILES:C(CCCc1cc2c(c(O)c1)C1C=C(COC(=O)C)CCC1C(C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -16.834
InChIKey:FLIQSOQAAQITNX-UHFFFAOYSA-N
ID: 59435
SMILES:C=C(C(=O)OC)C1CC2c3c(cc(CCCCC)cc3O)OC(C)(C3CCC(C)=CC32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.608
CB1 binding score: -15.929
InChIKey:PXFXHQFYJZVVAY-UHFFFAOYSA-N
ID: 59436
SMILES:CC(OCC=C(C)C)C(C)=CCc1c(O)c2c(c(C)c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.625
CB1 binding score: -14.39
InChIKey:ABYXZBVYXWHLHY-UHFFFAOYSA-N
ID: 59437
SMILES:C(c1c(O)c2c(cc1)OC(C)(C)C1CCC(C)=CC12)(=O)C1C(C(CC)C)C(C)=CCC1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.69
CB1 binding score: -14.885
InChIKey:IHIJGGRSSREVMJ-UHFFFAOYSA-N
ID: 59438
SMILES:C(C12c3c(cc(CCCCC)cc3O)OC3(C(=O)C2CC(C)C)C(C)(O)CC(C(C(=C)C)C1)O3)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 510.715
CB1 binding score: -14.975
InChIKey:YEDDUYHTBNPOKA-UHFFFAOYSA-N
ID: 59439
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.264
InChIKey:JSQZQNWIVUSPJH-UHFFFAOYSA-N
ID: 59440
SMILES:O(C=O)CC1(C=C)C(c2c3c(cc(O)c2)OC(C)(C)C2C3C1)OC(C)(C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -13.739
InChIKey:NYMFYXDOVKFFCE-UHFFFAOYSA-N
ID: 59441
SMILES:C(C)CCc1cc(O)c(C=O)c(O)c1CC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 330.468
CB1 binding score: -16.244
InChIKey:VYOGEHMUKMLXNW-UHFFFAOYSA-N
ID: 59442
SMILES:CC(C)=CCCC1(C)Oc2c(c3c(cc(CCCC)cc3O)OC2(C)C)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -16.541
InChIKey:AWNMJFXUHNRUAY-UHFFFAOYSA-N
ID: 59443
SMILES:C(CC1C(C)(C)Oc2cc(CCCCC)cc(O)c21)C(C)=CCCc1cocc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -15.791
InChIKey:DVRKJOPKFRDMGQ-UHFFFAOYSA-N
ID: 59444
SMILES:CC12CC3(c4c(cc(CCCCC)cc4O)O1)C(CC(C)(C)O3)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: Not available
InChIKey:IIXVJFPKHXRCHU-UHFFFAOYSA-N
ID: 59445
SMILES:Oc1cc(O)c2c(c1C1=C(O)C(=O)C(C)(CCCC)C1(O)C=CC(C)(C)O)OC(C)(C)C1C2C=C(CO)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 558.668
CB1 binding score: -15.519
InChIKey:WIYXMYZDLFOXMX-UHFFFAOYSA-N
ID: 59446
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1CC(C=CC=C(C)C)(C)OC1CC(=C(C)C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.626
CB1 binding score: -16.629
InChIKey:NDDAUVFKAOYPEB-UHFFFAOYSA-N
ID: 59447
SMILES:c12cc(CCCCC)cc(OCC=C)c1OC(O)(CC=C(C)C)C=C2O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.396
InChIKey:VJNCIQLJNKECQF-UHFFFAOYSA-N
ID: 59448
SMILES:CCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.91
InChIKey:XIUBUMUFDIYHCY-UHFFFAOYSA-N
ID: 59449
SMILES:Oc1c(C(C(C(C)=CC)OC(=O)C)C)cc(O)c2c1OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -16.001
InChIKey:HRRUCYBFHBCZQB-UHFFFAOYSA-N
ID: 59450
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C1C=C(C)CC(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.616
CB1 binding score: -16.629
InChIKey:NNEIWPFYNLTHOY-UHFFFAOYSA-N
ID: 59451
SMILES:C(CC)CCc1ccc(OC)cc1C(OC1CC2(C)Cc3c(cccc3)OC2(C)C1C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.592
CB1 binding score: -15.929
InChIKey:CNRYMLAIJZNCEC-UHFFFAOYSA-N