ID: 67453
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2=C(C(C)C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -14.66
InChIKey:SOYGMFQFRQDYHM-UHFFFAOYSA-N
ID: 67454
SMILES:C(CC)CCc1cc2c(cc1)OC(CCC(O)(C)C=C)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.882
InChIKey:YVQDXNWKFRRPDJ-UHFFFAOYSA-N
ID: 67455
SMILES:CC12Oc3c(c(O)cc(C)c3)C3C=C(C)C(CC13)C(C)CO2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -16.668
InChIKey:ZUINCMNZPRZGKS-UHFFFAOYSA-N
ID: 67456
SMILES:Oc1cc(O)c2c3c1OC(C)(C)C1CC1(C)C2C=C(C)CC3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -16.049
InChIKey:MTIRQKUUICMBPN-UHFFFAOYSA-N
ID: 67457
SMILES:CC1C(C(C)=C)(c2c(O)cc(CCCCC)cc2O)CCC(C)=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -13.793
InChIKey:NRVZGVMFGKZWSG-UHFFFAOYSA-N
ID: 67458
SMILES:C1(O)C(C)=CC2C(C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.534
InChIKey:INKUWBOHCFHXTJ-UHFFFAOYSA-N
ID: 67459
SMILES:C(CC(C)=S)CC1(C)CCc2c(C)c(O)c3c(c21)OC(C)(C)C1C3CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.639
CB1 binding score: -15.017
InChIKey:MSNRBEQDTXRBLX-UHFFFAOYSA-N
ID: 67460
SMILES:C1(C)=C2C(C(=O)C=C(c3cc(OC)c4c(c3)OCO4)C1C)C(C)(C)Oc1cc(CCCCCC)cc(O)c1C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 532.677
CB1 binding score: -16.48
InChIKey:GQXNGPKTUKBIGA-UHFFFAOYSA-N
ID: 67461
SMILES:CC(=CC)C1(C)C(c2c(O)cc(CCCCC)c(C=O)c2O)C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -15.365
InChIKey:QUTOGDDRWZKDLG-UHFFFAOYSA-N
ID: 67462
SMILES:C(C(c1cc2c(c(O)c1)C1C(O)C(C)(C)CC1C(C)(C)O2)=O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.342
InChIKey:ADBRTZXPGVCWSA-UHFFFAOYSA-N
ID: 67463
SMILES:C(CCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC(O)C(C)=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.697
InChIKey:RDLUNEDCJHKYDQ-UHFFFAOYSA-N
ID: 67464
SMILES:c1c(C(O)C(COC(=O)C)=C)c2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -14.752
InChIKey:MHFSQALQGVCIKD-UHFFFAOYSA-N
ID: 67465
SMILES:CC1=CC2C(C(C)(C)Oc3c2c(O)cc(C)c3)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -18.466
InChIKey:OOSGYAFEZCZRRA-UHFFFAOYSA-N
ID: 67466
SMILES:C1=C(CO)CC2c3c(O)cc(C)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -13.828
InChIKey:QFTILTCMAKLUKV-UHFFFAOYSA-N
ID: 67467
SMILES:CCCCCc1cc(O)cc(O)c1CC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.891
InChIKey:JFJAMLJGMDJCRJ-UHFFFAOYSA-N
ID: 67468
SMILES:C=C(C1CCC(C)CC1c1c(O)ccc(CC[N+](O)(C)C)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.481
CB1 binding score: -15.255
InChIKey:YAASOINZCWFENM-UHFFFAOYSA-O
ID: 67469
SMILES:O=c1c(OC)c(COC(=O)CCCCCCCCC)oc2c1C1C(C(=C)C)CCC3(C)C(c4c(O)c(C(=O)O)c(CCCCC)cc4O1)C2O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 694.862
CB1 binding score: -15.895
InChIKey:XQHLTXZYCXPWPU-UHFFFAOYSA-N
ID: 67470
SMILES:C(=C(C)C)Cc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 67471
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 67472
SMILES:C1(C)=CC2c3c(cc(CCCCC)c(O)c3O)OC(C)(C)C2CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.517
InChIKey:LAVUMBGIUUNPTH-UHFFFAOYSA-N
ID: 67473
SMILES:C(C)CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(O)C2(C)C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -15
InChIKey:CXYSEBBYYIOPGR-UHFFFAOYSA-N