ID: 107374
SMILES:c1(C2(O)C(C(C)C)CCC(C)=C2)c(O)cc(CCc2cc(O)cc(CC=C(C)C)c2)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.619
CB1 binding score: -13.743
InChIKey:XQBNSRQDTAKHND-UHFFFAOYSA-N
ID: 107375
SMILES:C1(C(=C)C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.048
InChIKey:STKGVTUAESMZDB-UHFFFAOYSA-N
ID: 107376
SMILES:C1(CO)=CC2C(C(C)(C)Oc3ccc(CCCCC)cc32)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.89
InChIKey:VWNBJRXFUQUWIJ-UHFFFAOYSA-N
ID: 107377
SMILES:C(C=C(C)C)c1c(O)c(CC=C(CCC=C(C)C)C)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.748
InChIKey:VRXKPPYOGGSRFK-UHFFFAOYSA-N
ID: 107378
SMILES:O=C(Oc1cc(CCCCC)cc2c1C=CC(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -17.646
InChIKey:RVSLORWCYDMGOH-UHFFFAOYSA-N
ID: 107379
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C2CCC(C)=CCc1c(O)cc2c(c1)OC(C)(C)C=C2)c1cc(O)c(O)cc1
Pathway: Polyketides;Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 556.699
CB1 binding score: -15.92
InChIKey:GPQZXBKHBSDHGW-UHFFFAOYSA-N
ID: 107380
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 107381
SMILES:C(CCC)Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 107382
SMILES:O(c1ccc(OC)c(C2C(C(C)=C)CCC(C)=C2)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.814
InChIKey:OFJSDHLGLZNWGY-UHFFFAOYSA-N
ID: 107383
SMILES:C1C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CCC1(C)OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.024
InChIKey:MVRKTZAGCVMDGH-UHFFFAOYSA-N
ID: 107384
SMILES:C1CC2C(C)(C)Oc3cc(CCCCC)cc(c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.405
CB1 binding score: -17.296
InChIKey:MBWFBIFQVPYBIL-UHFFFAOYSA-N
ID: 107385
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 107386
SMILES:C1(=C)C(Cl)CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.914
CB1 binding score: -16.502
InChIKey:MBTHFRUJJBYVNV-UHFFFAOYSA-N
ID: 107387
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)=CC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -15.839
InChIKey:XHXWZKLQIVUZJR-UHFFFAOYSA-N
ID: 107388
SMILES:C(Cc1c2c(ccc1C(=O)O)OC(C)(C)CC2)(CCCCC)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -12.22
InChIKey:ZADGBMWZPUMFLC-UHFFFAOYSA-N
ID: 107389
SMILES:O(C(C)=O)C=C(C(O)CC=C(C)C)C1C(C)C(C)c2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: Not available
InChIKey:NRRNAMZYMOZHJD-UHFFFAOYSA-N
ID: 107390
SMILES:C12C(c3c(O)cc(C)cc3OC1(C)C)CC(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -18.804
InChIKey:NJEVKSYKELTXNY-UHFFFAOYSA-N
ID: 107391
SMILES:C(=C)c1cc(OC)c(O)c2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -15.929
InChIKey:NIOCGNJKDAGWBQ-UHFFFAOYSA-N
ID: 107392
SMILES:C1C(C)=CC(c2c(O)cc(CCC)cc2O)C(C(C)(C)O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -19.168
InChIKey:BMEOABJGGIYLGA-UHFFFAOYSA-N
ID: 107393
SMILES:C1(C)(C)Oc2cc(O)cc(CCCCC)c2CC=C(C)CCC1Br
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 395.381
CB1 binding score: -10.912
InChIKey:GKUNPPBGWSUMIF-UHFFFAOYSA-N
ID: 107394
SMILES:C1CC(O)(CO)C2C1c1c(cc(CCCCC)cc1O)OC(C)(C)C2CC(=O)C(C)=CCCC(C)=CCCC(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 570.811
CB1 binding score: -11.386
InChIKey:LSKHGAJROSNHAQ-UHFFFAOYSA-N