ID: 77974
SMILES:COC(=O)c1cc2c(c(CCCCC)c1)OC(C)(C)c1c2c2c(c(O)c1)CC(O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.563
CB1 binding score: -16.904
InChIKey:OLVONINKPBCYES-UHFFFAOYSA-N
ID: 77975
SMILES:CC1(C)Oc2c(c(O)cc(CCCC)c2)C2CC1CC=C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.187
InChIKey:GBUONTPUCQFUQJ-UHFFFAOYSA-N
ID: 77976
SMILES:C(CC(=CCc1c(O)c(O)cc(CCCCC)c1)C)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.682
InChIKey:LDSLGHZIOIUHGN-UHFFFAOYSA-N
ID: 77977
SMILES:c1(O)c2c(ccc1-c1cc3c(cc1C(O)C(C)(C=C)O)OC(C)(C)C1C3C=C(C)CC1)c(C)cc(O)c2C=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 528.645
CB1 binding score: -15.519
InChIKey:MSNATYCPYWKGMJ-UHFFFAOYSA-N
ID: 77978
SMILES:CC1(C)Oc2cc3c(c4c2c(c3C)OC(C)(CCC=C(C)C)C=C4)CC1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.529
CB1 binding score: -14.034
InChIKey:IWWHVZFGMGWKLC-UHFFFAOYSA-N
ID: 77979
SMILES:CC1(C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.085
InChIKey:NBKYHNONEWSMHK-UHFFFAOYSA-N
ID: 77980
SMILES:C123C(c4c(cc(CCCCC)cc4O)OC1(C)C)CC1(OCC(C)C21)OC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.279
InChIKey:NFIBAEHAIMKLCU-UHFFFAOYSA-N
ID: 77981
SMILES:c1(CCCCC)cc(O)c(C2C(C(C)=C)CCC3(C)C(O3)C2)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -12.94
InChIKey:JFVDRVCYGCYDHN-UHFFFAOYSA-N
ID: 77982
SMILES:C12(c3c(cc(CCCCC)cc3O)OC1(C)C)CC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.168
InChIKey:MEVBMEDORSSBJR-UHFFFAOYSA-N
ID: 77983
SMILES:Cc1c(Oc2cccc(CCC)c2)cc2c(c1OC)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.566
CB1 binding score: -14.943
InChIKey:BPJXWTXXEYMSBY-UHFFFAOYSA-N
ID: 77984
SMILES:c1c(O)c2c(c(O)c1)C1C(=O)C(C)(C)OC(CCC=C(C)C)(C)C1CC(C(C)(C)O)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -16.144
InChIKey:RZAFZGGWTWHXKC-UHFFFAOYSA-N
ID: 77985
SMILES:c1(CC=C(C)CCCC(C)CCC=C(C)C)c(O)cc(C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -17.334
InChIKey:RUTPKBVACOSZDU-UHFFFAOYSA-N
ID: 77986
SMILES:OC1c2c(OC)cc(CCCCC)cc2OC(C)(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 308.418
CB1 binding score: -15.163
InChIKey:KYMQAKCDLNURST-UHFFFAOYSA-N
ID: 77987
SMILES:O=C(OCC)C1=CC2C(C(C)(C)Oc3c(c(O)cc(C)c3)C2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.766
InChIKey:VDGXNRKHGMZHFS-UHFFFAOYSA-N
ID: 77988
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)c(O)c(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.603
InChIKey:CJXNORQCNHTITK-UHFFFAOYSA-N
ID: 77989
SMILES:C(CC)CCCc1cc(OC)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -14.829
InChIKey:PVWRMMWUXKTYEW-UHFFFAOYSA-N
ID: 77990
SMILES:c12c(c(O)c(C)cc1OC(CC)C=C)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.898
InChIKey:COXYPZGSHYZLRW-UHFFFAOYSA-N
ID: 77991
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2CC(C2)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -16.79
InChIKey:XQKKQKVZTUMWGM-UHFFFAOYSA-N
ID: 77992
SMILES:C1=C(C)CCC(C(C)CCC=C(C)C)C1c1c(O)cc(O)cc1CCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -13.801
InChIKey:SCFNQEQXMBDIQM-UHFFFAOYSA-N
ID: 77993
SMILES:C(CC)CCC(=O)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C(=O)O)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -14.218
InChIKey:LHZLCKWGKUWZMH-UHFFFAOYSA-N
ID: 77994
SMILES:c12cc(CCCCC)ccc1OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -17.649
InChIKey:CBFJCKSFJPWQQA-UHFFFAOYSA-N