ID: 59830
SMILES:c12c(c(CCCCC)cc(O)c1)OC(C)(C)c1ccc(C)cc1-2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -16.661
InChIKey:GCQXNVWMIJKFKP-UHFFFAOYSA-N
ID: 59831
SMILES:C1(c2c(O)cc(CCCCC)cc2)CC(C)=CCC1OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.23
InChIKey:VZUUJQHBRRHVRJ-UHFFFAOYSA-N
ID: 59832
SMILES:Oc1cc2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.716
InChIKey:MMMBBXWSLJXQAV-UHFFFAOYSA-N
ID: 59833
SMILES:C(CCCc1cc2c(c(O)c1)C1C(=O)OC(C)(C)C1CC=C(C)C)cc2O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -14.912
InChIKey:RSJNTWLGZYESAE-UHFFFAOYSA-N
ID: 59834
SMILES:C(CC)CCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.458
InChIKey:LZFSGTNLAZDDKK-UHFFFAOYSA-N
ID: 59835
SMILES:O=S(O)(=O)Oc1cc(CCCCC)cc(O)c1CC=C(C)CCCC(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.549
CB1 binding score: -14.578
InChIKey:WXAAAOXUAXMUDI-UHFFFAOYSA-N
ID: 59836
SMILES:C1C(C)(CCCC(C)(C)O)Oc2c(c(O)cc(CCCCC)c2)C2OC(=O)C(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.574
CB1 binding score: -15.097
InChIKey:DJDSWBGVNOFZIB-UHFFFAOYSA-N
ID: 59837
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(O)(C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -19.298
InChIKey:TZGCTXUTNDNTTE-UHFFFAOYSA-N
ID: 59838
SMILES:C1(C(=C)C)c2c(c(O)c(CCCCCO)cc2O)OC(C)(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.455
CB1 binding score: -15.744
InChIKey:DWKFDDHVZRSNSA-UHFFFAOYSA-N
ID: 59839
SMILES:C(CCCCCc1cc2c(c(O)c1)C1C(CCC(C)=C1)C2(C)C)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.605
CB1 binding score: -17.466
InChIKey:AONPJKVNZDCGNZ-UHFFFAOYSA-N
ID: 59840
SMILES:O=C1C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.035
InChIKey:KEAXRVVDSBXMMT-UHFFFAOYSA-N
ID: 59841
SMILES:C1(C(O)(C)C)=C2Oc3c(c(O)cc(CCCCC=CCCCCCCC)c3)C3(C)CCC(O2)C3(C)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.742
CB1 binding score: -14.176
InChIKey:BPWHXAKSXQMXSS-UHFFFAOYSA-N
ID: 59842
SMILES:CC(C1C(OC2OC(CO)C(O)C(O)C2O)CC(C)=CC1c1c(O)cc(CCCCC)cc1OC(=O)C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 534.646
CB1 binding score: -14.763
InChIKey:MBTVIIHBHWPAGP-UHFFFAOYSA-N
ID: 59843
SMILES:C1(CCC(O)=O)=CC2C(CC1)C(C)(C)OC2=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 238.283
CB1 binding score: -15.061
InChIKey:CECJAYPOAVVXMI-UHFFFAOYSA-N
ID: 59844
SMILES:C(CCCc1cc(OC)c(C2C(C(C)=C)CC(Cl)C(C)(Br)C2)cc1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 441.881
CB1 binding score: -15.394
InChIKey:XGRZPDLNVGCYKI-UHFFFAOYSA-N
ID: 59845
SMILES:C1(C)(C)Oc2cc(C(C)(O)CCCCCC)cc(Br)c2OC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 371.315
CB1 binding score: -15.34
InChIKey:BJPDHYDHFFYBSE-UHFFFAOYSA-N
ID: 59846
SMILES:Oc1cc(CC2(CC(CC(C)C)=O)C3C(O)(C=C2O)OC(C)(C)C2C3C(C(=C)C)CCC2C)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.687
CB1 binding score: -16.527
InChIKey:IBYAZXWRENWWEZ-UHFFFAOYSA-N
ID: 59847
SMILES:C1(C)(CCC=C(CC(C2C(C)(C)O2)O)C)C=Cc2c(c(C)cc(=O)c(O)c2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -14.724
InChIKey:JGWNOMVPADOIDS-UHFFFAOYSA-N
ID: 59848
SMILES:CC1=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 59849
SMILES:C1C2c3c(cc(CCCCC)cc3O)OC(CO)(C)C2CC(OC(=O)C)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -16.748
InChIKey:KDKQLFLOMHPPDX-UHFFFAOYSA-N
ID: 59850
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2C(O)C(=C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.913
InChIKey:DIIONVAEKNJFEV-UHFFFAOYSA-N