ID: 36940
SMILES:COc1c(C)cc2c3c1OC(C)(C)C1CCC(C)C1C3O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -15.05
InChIKey:WBWXYLYGDSHPGU-UHFFFAOYSA-N
ID: 36941
SMILES:O(C1C(C)=CC2C(C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.888
InChIKey:PUAYZKBVSPXFKX-UHFFFAOYSA-N
ID: 36942
SMILES:c1(C=O)cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -17.056
InChIKey:QTVIOIOINQTKGE-UHFFFAOYSA-N
ID: 36943
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 36944
SMILES:C(C)(CCC=C(C1CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.658
CB1 binding score: -13.749
InChIKey:UGDLZZXHZDDHIK-UHFFFAOYSA-N
ID: 36945
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CC=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.854
InChIKey:LBWGQYMMYXSGPV-UHFFFAOYSA-N
ID: 36946
SMILES:C1c2c(cc(CCC)cc2C)OC(C)(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 218.34
CB1 binding score: -15.354
InChIKey:BUOPTFCSXDFVJI-UHFFFAOYSA-N
ID: 36947
SMILES:C(c1c(O)c2c(c(CC3C(C)=CCCC3(C)C)c1O)OC(C)(C)C1C2CC(COC(=O)c2ccc(Br)cc2)(C)O1)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 641.643
CB1 binding score: -14.965
InChIKey:IDWBTDUCRFZOBX-UHFFFAOYSA-N
ID: 36948
SMILES:O(C(C)=O)CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -19.773
InChIKey:ILHSUWMZKIAMCQ-UHFFFAOYSA-N
ID: 36949
SMILES:OCc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.052
InChIKey:QQEVRLZRUXIXKV-UHFFFAOYSA-N
ID: 36950
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 36951
SMILES:C(CCCC)c1cc(OC)c2c(c1)OC(CCC=C(C)C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -19.589
InChIKey:CWOKQYMTXTXLDW-UHFFFAOYSA-N
ID: 36952
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1(CCC(C)=CC1)O2)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 328.452
CB1 binding score: -11.025
InChIKey:JKFPJOJFXDEPCQ-UHFFFAOYSA-N
ID: 36953
SMILES:CCCCCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 36954
SMILES:C(C)Cc1cc(O)c(CC=C(C)CCC=C(C)C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.331
InChIKey:LILBTFSPJICHKR-UHFFFAOYSA-N
ID: 36955
SMILES:O=C(CCCCC1=C2OC(C)(C)C3CCC(C)C32CC1=O)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.402
CB1 binding score: -12.197
InChIKey:AUTRTXYPGPFFDV-UHFFFAOYSA-N
ID: 36956
SMILES:c1(O)c2c(cc(CCCCC)c1C(=O)O)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 36957
SMILES:C(C)(CCC=C(C=O)C)=CCc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.431
InChIKey:YOPNEMNEITVXDO-UHFFFAOYSA-N
ID: 36958
SMILES:O=C(c1cc(CCCCC)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -14.643
InChIKey:LFLFLMPVNFDYRE-UHFFFAOYSA-N
ID: 36959
SMILES:C(C(C(OCC1(C)CCCC2(C)Cc3c(cc(CCCCC)cc3O)C(O)C21)=O)O)(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -14.945
InChIKey:MZVWADWSKQXWBQ-UHFFFAOYSA-N
ID: 36960
SMILES:O(c1cc(O)c(C(CC(C)C)=O)c2c1OC(C)(C)C1C2C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.845
InChIKey:RBXHOFMZFCPJSI-UHFFFAOYSA-N