ID: 22555
SMILES:C(C)C=Cc1cc(OC)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -12.671
InChIKey:VVACZQLCCQKXJI-UHFFFAOYSA-N
ID: 22556
SMILES:c1(CCCCC)cc2c3c(c1O)CC1C(C)(O2)CCC1C(C)(C)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -12.77
InChIKey:RAXYWCGFDFTKAG-UHFFFAOYSA-N
ID: 22557
SMILES:C1(CCC(=CCc2c(O)cc(CCC)cc2O)C)=C(C)CCCC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -15.551
InChIKey:VDEMMUDAHJCTBF-UHFFFAOYSA-N
ID: 22558
SMILES:CC(C)C1C(c2c(O)c(C=O)c(CCCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.518
InChIKey:WQNXPIDJGPWIFL-UHFFFAOYSA-N
ID: 22559
SMILES:C(=O)(OC)C12C(c3c(cccc3)OC1(C)C)C=C(C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -16.637
InChIKey:SDNFEPOMPRKAID-UHFFFAOYSA-N
ID: 22560
SMILES:O(c1cc(C)cc2c1-c1c(ccc(C)c1)C(C)(C)O2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 268.356
CB1 binding score: -17.579
InChIKey:UEXVDOATPCCQRD-UHFFFAOYSA-N
ID: 22561
SMILES:C1(C)=CC2C(CC1O)C(C)(C)Oc1c(cc(O)c(C)c1)C2N=C=S
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 345.464
CB1 binding score: -14.084
InChIKey:OQWLYHUUFOCHKO-UHFFFAOYSA-N
ID: 22562
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2(C)C(C3C(C)(CC2)CCC(C(O)=O)=C3)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -14.27
InChIKey:BMWJMGDZIIZIGT-UHFFFAOYSA-N
ID: 22563
SMILES:C1C(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(COC(C)=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -17.007
InChIKey:KDNNPXMACKUHBU-UHFFFAOYSA-N
ID: 22564
SMILES:CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 22565
SMILES:ClC(C(OCC(CCOc1cc2c(c(C=O)c1)OC(C)(C)C1CC=C(C)CC12)=O)=O)CCCCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 561.159
CB1 binding score: -16.162
InChIKey:TXEWXRYVMDFDPD-UHFFFAOYSA-N
ID: 22566
SMILES:C1=C(C)CC2C(C(C)(C)Oc3c2c(O)cc(C)c3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.619
InChIKey:MMZAEMNNHWYQKW-UHFFFAOYSA-N
ID: 22567
SMILES:C(=C)(C)C1CC=C(C)CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.129
InChIKey:ZTGXAWYVTLUPDT-UHFFFAOYSA-N
ID: 22568
SMILES:c1(O)cc(CCCCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 22569
SMILES:C(C=Cc1cc2c(c(O)c1)C1CC(C)(O)CCC1C(C)(C)O2)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.573
InChIKey:DPDSVDWLLFZOHN-UHFFFAOYSA-N
ID: 22570
SMILES:C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 22571
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2=CC3(C)C=CC(=O)C(C)(C)C3C21O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -14.596
InChIKey:GSDICPFAHIPECS-UHFFFAOYSA-N
ID: 22572
SMILES:CC(C)c1c(C)c(=O)c(C)c(O)c2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.929
InChIKey:FQBQKRQPTGLVHW-UHFFFAOYSA-N
ID: 22573
SMILES:C(O)C1(CO)C(O)C(O)CC2(C)C1CCC1(C)C2C(O)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.599
CB1 binding score: -16.976
InChIKey:LNDZFRRSPBDTHU-UHFFFAOYSA-N
ID: 22574
SMILES:O=S(Oc1c2c(cc(C)c1)OC(C)(C)C1CCC(C)=CC12)(C(=C)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.491
CB1 binding score: -12.857
InChIKey:GYFOZLAZCZSDOA-UHFFFAOYSA-N
ID: 22575
SMILES:C(=CCOC)c1c(O)c2c(cc1C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -14.145
InChIKey:BVSZKKNCFZOWFS-UHFFFAOYSA-N