ID: 49876
SMILES:Oc1c(C(Oc2ccccc2)=O)c(CC2C(C)(C)OC(C)(C)C=C2)c2c(c1C(CCCC(=C)C)C)CC(O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 576.774
CB1 binding score: -14.934
InChIKey:QWPUSTVTBUDTMZ-UHFFFAOYSA-N
ID: 49877
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CC(=O)c1cc(CC=C(CCC=C(C)C)C)c(O)c(OC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 572.786
CB1 binding score: -13.271
InChIKey:DHIQKLUGIVSCQI-UHFFFAOYSA-N
ID: 49878
SMILES:CC1(C)C2=CCC(C)C3(C2(C)CCC1)c1c(cc(CCCCC)cc1O)O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -13.246
InChIKey:JZGITOKHMIWYQZ-UHFFFAOYSA-N
ID: 49879
SMILES:O(c1cc(C(C)(O)C)cc2c1-c1c(ccc(C)c1)C(C)(C)O2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -12.061
InChIKey:XKVIRFJZDSZAIU-UHFFFAOYSA-N
ID: 49880
SMILES:c1(CCC(=O)O)cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 318.413
CB1 binding score: -18.016
InChIKey:OVJKPQKAIHSVBC-UHFFFAOYSA-N
ID: 49881
SMILES:C1=CCC(C)=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -14.554
InChIKey:OXDIURKIKSDVFL-UHFFFAOYSA-N
ID: 49882
SMILES:COc1c(O)c2c(cc1C)OC(CCC1=C(C)CC(C)C(C)(C)O1)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -14.426
InChIKey:HLJKFHXMZQJWPY-UHFFFAOYSA-N
ID: 49883
SMILES:C1=Cc2c(cc(CC)cc2O)OC1(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.588
InChIKey:JZEQHRTZXSCBRS-UHFFFAOYSA-N
ID: 49884
SMILES:C12(C)Oc3c(c(O)cc(CCC)c3)CC1C(C(C)CCC=C(C)CO)CCC2(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -15.12
InChIKey:MKGZXSPGPYYOSB-UHFFFAOYSA-N
ID: 49885
SMILES:CC(=CCC=C(C)C)C(CCC(=CCc1cc(O)cc(C)c1O)C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.78
InChIKey:BWTSHQYANZCSFK-UHFFFAOYSA-N
ID: 49886
SMILES:C(O)C1C(O)C(O)C(O)C(Oc2c(CC=C(CCC=C(C)C)C)cc(O)cc2CCCCCC)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.653
CB1 binding score: -16.015
InChIKey:RLQATGONJHNJJU-UHFFFAOYSA-N
ID: 49887
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 49888
SMILES:Oc1c(CC=C(CCC=C(C)C)C)ccc(CCCCCO)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.957
InChIKey:PLKLJUBYWVPPTA-UHFFFAOYSA-N
ID: 49889
SMILES:C1(C(C)=C)CC2c3c(c4c(c(C)c3)OC(C)(C)C=C4)OC(C)(C)C2CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.518
CB1 binding score: -16.592
InChIKey:DGJSKBUTOOPGBW-UHFFFAOYSA-N
ID: 49890
SMILES:CC(c1c(-c2c(O)ccc(CCCC)c2)cc(O)c(C2C(C(=C)C)CCC(C)=C2)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -16.641
InChIKey:CWZUBUXFTIGZLL-UHFFFAOYSA-N
ID: 49891
SMILES:c1c(CCCC)cc(O)c2c1OC1(C)C(C(C)(C)CCC1)C2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.345
InChIKey:DTKPYLMIGGLARQ-UHFFFAOYSA-N
ID: 49892
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.707
InChIKey:OGXXAQFMAFTSRU-UHFFFAOYSA-N
ID: 49893
SMILES:C1(C)=CC2c3c(cc(CCCCC)cc3O)OC1C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -16.037
InChIKey:LDUNPRLVDGUACW-UHFFFAOYSA-N
ID: 49894
SMILES:C(C1(CO)OC1C(OC)=O)OC1C2C(Oc3cc(CCCCC)cc(O)c3C=C2CO)C(O)(C(C)(OC)C)C(O)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 580.671
CB1 binding score: -16.005
InChIKey:FCPLCNASDYJRTM-UHFFFAOYSA-N
ID: 49895
SMILES:C12(C)Oc3c(c(O)cc(CCCCC)c3)C(O)(CC3=C1C14C(CCC(C)C1CCC3C)OC4=O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.645
CB1 binding score: -14.149
InChIKey:WXIGRBQQRHIMGE-UHFFFAOYSA-N
ID: 49896
SMILES:c1(O)cc(C(O)CC23C(=O)C(CC=C(C)C)(CC(C(CCC=C(C)C)(C)OC)C2=O)O3)cc(O)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 502.604
CB1 binding score: -15.987
InChIKey:UZKAKIYONSOGHB-UHFFFAOYSA-N