ID: 20203
SMILES:C12(c3c(O)cc(CCCCC)cc3OC1(C)C)C(OO)C(C)=CC1=C2C(=O)C2(C)CCCC(C)(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.672
CB1 binding score: -15.519
InChIKey:YAIQCTRWNDNEQE-UHFFFAOYSA-N
ID: 20204
SMILES:C1(C)(C)C2CCC(C)=CC2c2c(cc(CCCCC)c(O)c2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.996
InChIKey:XXGMIHXASFDFSM-UHFFFAOYSA-N
ID: 20205
SMILES:c12c(cc(CCCCC)cc1O)OC(CCC=C(C)CO)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.346
InChIKey:POPBLMRNLSTLOC-UHFFFAOYSA-N
ID: 20206
SMILES:c1c2c(c(CCCCCC)c(C(O)=O)c1O)OC(C)(C)c1ccc(C)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -14.66
InChIKey:HPIDQEAKHJXMSS-UHFFFAOYSA-N
ID: 20207
SMILES:C=C1C2c3c(cc(CCCCC)c(O)c3OC2(C)C)OC(C)(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.125
InChIKey:MNPCXCRTHGGIEB-UHFFFAOYSA-N
ID: 20208
SMILES:C1(C)(C)Oc2cc(CCCCC)c(C(OC)=O)c(O)c2C2=CCCC(C)C21C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.858
InChIKey:NFLAVYRLYNQLOR-UHFFFAOYSA-N
ID: 20209
SMILES:O(C(=O)C)CC1(C)CCC(C(C)C)C2c3c(O)cc(CCCCC)cc3OC3CCC(C)(C)C3CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.748
CB1 binding score: -9.734
InChIKey:XODQJAZLFUIMGB-UHFFFAOYSA-N
ID: 20210
SMILES:C1=Cc2c(cc(CCCC)cc2O)OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 232.323
CB1 binding score: -18.332
InChIKey:BLTMDVBCVIKEGR-UHFFFAOYSA-N
ID: 20211
SMILES:CC(C(O)=O)CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.216
InChIKey:ZVMQOBLTJQXHPY-UHFFFAOYSA-N
ID: 20212
SMILES:c1(C)cc2c(cc1)C(C)(C)Oc1cc(CCCCCC)cc3c1C(C(O)(C)CCCC(C)(C)O3)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.717
CB1 binding score: -14.254
InChIKey:YUQDAVZMLZXSFE-UHFFFAOYSA-N
ID: 20213
SMILES:O=c1ccc2c(c(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -14.639
InChIKey:HLZZVYSZIVKQBD-UHFFFAOYSA-N
ID: 20214
SMILES:CC1=CC(c2c(OC)ccc(CCN(C)C)c2)C(C(=C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.485
CB1 binding score: -18.294
InChIKey:GJDVDGGMUGCJGX-UHFFFAOYSA-N
ID: 20215
SMILES:C(Cl)Cc1cc2c(c(O)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.833
CB1 binding score: -16.056
InChIKey:GITVFULXOZLUHD-UHFFFAOYSA-N
ID: 20216
SMILES:C=C(C)C1CCC(O)(C)C2Oc3c(C=O)c(CCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.999
InChIKey:BCALQZHDWZWRPQ-UHFFFAOYSA-N
ID: 20217
SMILES:C1C2(c3c(O)cc(CCCCC)cc3O1)CC(C(C)=C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.608
InChIKey:NVCXIYOXBTXRQS-UHFFFAOYSA-N
ID: 20218
SMILES:C1(OC)C2(CCCC(C)CCCc3ccccc3)Oc3c(cc(O)c(C(OC)=O)c3)C(C1C(C)=C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.628
CB1 binding score: -14.55
InChIKey:NZPMKMHIEWBUGN-UHFFFAOYSA-N
ID: 20219
SMILES:C1(C)(CCC=C(C)C)C(O)Cc2c(O)cc(CCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -17.137
InChIKey:NEEDPEBKBOSZSS-UHFFFAOYSA-N
ID: 20220
SMILES:C(C12C(c3c(cc(CCCCC)cc3O)OC1)CCC(C)=CC2)(O)C(C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -16.185
InChIKey:SIECHPXYDPIKDP-UHFFFAOYSA-N
ID: 20221
SMILES:C1CCC2(C)C(=O)OC1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -16.34
InChIKey:ALFPTEBNQSXVGL-UHFFFAOYSA-N
ID: 20222
SMILES:C(C1(C)Oc2cc(O)c(C)c(CCCCC)c2C2C=C(C)CCC21)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.783
InChIKey:CHBKOFBBDMWXJT-UHFFFAOYSA-N
ID: 20223
SMILES:OC(c1ccc2c(c1)C1C(C(C)(C)O2)CCC(COC(C)=O)=C1)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.38
CB1 binding score: -16.581
InChIKey:WSDDHICUKDPKGG-UHFFFAOYSA-N