ID: 71947
SMILES:Oc1cc(CCCC)cc2c1C1C(C(C)(C)O2)CC2(CC=C(C)C(CC=O)C2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -16.5
InChIKey:QSJRLDLZKRFJKV-UHFFFAOYSA-N
ID: 71948
SMILES:c12c(O)cc(CCCCC)c(C(=O)O)c1OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 308.374
CB1 binding score: -17.25
InChIKey:YMMLIEXMRKUXNN-UHFFFAOYSA-N
ID: 71949
SMILES:C12C(Cc3c(O)c(C(O)=O)c(CCCCC)cc3O1)C1(C(C)C)C(O2)C(O)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -16.372
InChIKey:IBXRAGYTLPFGLA-UHFFFAOYSA-N
ID: 71950
SMILES:COC1CC=Cc2cc3c(c(O)c21)C1C(CCC(C)=C1)C(C)(C)O3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -13.74
InChIKey:XPYBFOCQGIHWKW-UHFFFAOYSA-N
ID: 71951
SMILES:OC1C(O)C(C)CC2C1C(C)(C)Oc1c2cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -14.744
InChIKey:KXWOHEPNIRBFIP-UHFFFAOYSA-N
ID: 71952
SMILES:C1(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C(CC1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.061
InChIKey:YGECZSOGAIZGAJ-UHFFFAOYSA-N
ID: 71953
SMILES:c12c(C(=O)O)cc(CCCCC)cc1OC(C)(C)C1CC(O)C(C)(OCC=C(CCC=C(C)C)C)c1-2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.704
CB1 binding score: -13.179
InChIKey:DDVUKUYGVOHOHF-UHFFFAOYSA-N
ID: 71954
SMILES:OCC(=CCc1c(O)cc(CCCCC)cc1O)CCC(O)C(O)(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.498
CB1 binding score: -15.628
InChIKey:DMDREBRDOPTYOC-UHFFFAOYSA-N
ID: 71955
SMILES:CC1C(C)(C2Cc3c(ccc(OC)c3)OC2(C)C)CC(Br)C1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 395.381
CB1 binding score: -15.131
InChIKey:INAPIFHKKGMWBI-UHFFFAOYSA-N
ID: 71956
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(CC=C(C)CCC=C(C)C)(C(C)CC2=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: Not available
InChIKey:CZWKCTGIUMQLIM-UHFFFAOYSA-N
ID: 71957
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 71958
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 71959
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C(C(C)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.385
InChIKey:OEDPJGVWHANUAE-UHFFFAOYSA-N
ID: 71960
SMILES:O(c1cc(Oc2c(O)ccc(CCCCC)c2)cc(C(C)(C)C)c1)CCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -16.308
InChIKey:GVEACHYLPUHIJD-UHFFFAOYSA-N
ID: 71961
SMILES:C(c1ccc(C2(C)OC(C)(C)CCC2)c(O)c1)CC(O)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.527
CB1 binding score: -17.291
InChIKey:ZPCWOBIJQMLPIL-UHFFFAOYSA-N
ID: 71962
SMILES:O=C1CC(C(C)C)C(c2c(O)c(OC)cc(CCCCC)c2)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.278
InChIKey:UWPQBDPNTJSBOY-UHFFFAOYSA-N
ID: 71963
SMILES:c1cc(-c2c(O)cc(CCCCC)cc2O)cc(CC=C(CCC=C(C)CCC=C(C)C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.702
CB1 binding score: -15.438
InChIKey:XQSOZNTYZFQCCE-UHFFFAOYSA-N
ID: 71964
SMILES:c1cc(CCCc2cc(O)cc(O)c2)c2c(c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.512
CB1 binding score: -14.019
InChIKey:KXLFAVLJAGEXBV-UHFFFAOYSA-N
ID: 71965
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.836
InChIKey:QPUQQECEKAFRDR-UHFFFAOYSA-N
ID: 71966
SMILES:CC(c1c(O)cc2c(c1)OC(C)(C)C1CCC(C)=CC21)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.007
InChIKey:QWOGQDLYJIUGPH-UHFFFAOYSA-N
ID: 71967
SMILES:CC1=CC2C(CCC2=C)c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: Not available
InChIKey:ZQQWYBOCYKEKDA-UHFFFAOYSA-N