ID: 45991
SMILES:CC(=CCCC(=CCCC(=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O)C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -19.427
InChIKey:VVBVATXKSUVSTB-UHFFFAOYSA-N
ID: 45992
SMILES:C(C)CCc1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.175
InChIKey:RVWTXSLOGRTPEH-UHFFFAOYSA-N
ID: 45993
SMILES:C(C)(=C)C(CCC(C)=C)c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -12.634
InChIKey:IFBPINQOORHQEC-UHFFFAOYSA-N
ID: 45994
SMILES:C(CCCCC)Cc1cc2c(c(O)c1)C1C(C(=C)C)CCC(C)(C2=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -13.306
InChIKey:INPCZCCBWNXBLC-UHFFFAOYSA-N
ID: 45995
SMILES:c12c(OC)cc(CCCCC)cc1OC1(C)C(C(C)CO1)C2
Pathway: Polyketides
Superclass: Meroterpenoids;Cyclic polyketides
Class: Cannabinoids;Fungal cyclic polyketides (Miscellaneous)
MW: 304.43
CB1 binding score: -15.772
InChIKey:NITYZGNIVXMCGT-UHFFFAOYSA-N
ID: 45996
SMILES:C1(C)(C)C2CC3c4c(c(C)cc(O)c4)OC(CC2=C(C)C(C)(C)O1)C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -12.229
InChIKey:SBHCMSDKPJFTGX-UHFFFAOYSA-N
ID: 45997
SMILES:C1(C)CC(C)=CC(c2c(O)cc(CCCCCO)cc2)C1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -17.388
InChIKey:DRXGVVXGMFZGAY-UHFFFAOYSA-N
ID: 45998
SMILES:C(OCC1=CC2C(C(C)(C)Oc3c1c(O)ccc3)CC=C(C)CCC=C(C)CC2)(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -16.862
InChIKey:NYJXSUNNXPRSOF-UHFFFAOYSA-N
ID: 45999
SMILES:C(CC(C)c1cc(O)c2c(c1)OC(C)(C)C1C2C(O)C(C)CC1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -14.783
InChIKey:LBOUZKFAHCUDJO-UHFFFAOYSA-N
ID: 46000
SMILES:C(CCc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -15.866
InChIKey:WEZJOSSBCKKKFS-UHFFFAOYSA-N
ID: 46001
SMILES:C(C)(C)=CCCC(=CCc1cc(OC(=O)C)cc(C)c1OC(=O)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.334
InChIKey:RAISXEOPUCKKJW-UHFFFAOYSA-N
ID: 46002
SMILES:C(C(C)=CC=Cc1ccc2c(c1)OC(C)(C)C1CCC(C)=CC21)CC=C(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.703
CB1 binding score: -15.007
InChIKey:CVMCJWSYRICVSN-UHFFFAOYSA-N
ID: 46003
SMILES:OCC1OC(Oc2c(O)cc(CCCCC)cc2O)C(O)C(C)C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.443
CB1 binding score: -15.743
InChIKey:QIOYLWUKNIFESB-UHFFFAOYSA-N
ID: 46004
SMILES:O1c2ccc(CCCCC)cc2CC2C(CO)(C)C1C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -18.545
InChIKey:HQOWCTJYNDPICW-UHFFFAOYSA-N
ID: 46005
SMILES:CC1=CC(c2c(O)cccc2O)C(C(CCC=C(C)CO)=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.434
InChIKey:GVARWRQKXDAWEU-UHFFFAOYSA-N
ID: 46006
SMILES:C(C)(CCC=C(C)C)=CCc1c(O)c(C(=O)O)c(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -19.667
InChIKey:FAVCTJGKHFHFHJ-UHFFFAOYSA-N
ID: 46007
SMILES:C12(C)CC3c4c(O)cc(CCCCC)cc4OC1(CC1C(C)(C)C(CCC=C(C)C)CCC21C)C3=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.744
CB1 binding score: -14.021
InChIKey:WTNFQEQOEJKPLX-UHFFFAOYSA-N
ID: 46008
SMILES:Cc1c(C(=O)NCC2CC3C(C)(C)Oc4c(c(OC)cc(CCCCC)c4)C2C=C(C)CC3)cccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 503.727
CB1 binding score: -12.242
InChIKey:HLHNRDNHLCZCHZ-UHFFFAOYSA-N
ID: 46009
SMILES:C(CCC)Cc1cc(O)cc(OC2C3C(C)(O)CCC(C(=C)C)C3C=C(C)C2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.116
InChIKey:OYCDYSNVEVXWMO-UHFFFAOYSA-N
ID: 46010
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)c(C(=O)O)c(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 46011
SMILES:C1C2C(C)(C)Oc3c(c(C)c(O)cc3)C2C=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -17.767
InChIKey:PAEXFQCXJALBEH-UHFFFAOYSA-N