ID: 114031
SMILES:Oc1cc(CCCCC)cc2c1C1C(=C(C)C(=O)O1)C(C=C(CCC=C(C)C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -16.16
InChIKey:XMHUAOBXJBFJCW-UHFFFAOYSA-N
ID: 114032
SMILES:C1(C(C)(C)O)CCC(C)=CC1c1c(O)cc(CCC)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -19.168
InChIKey:BMEOABJGGIYLGA-UHFFFAOYSA-N
ID: 114033
SMILES:CC(C1C(c2c(O)cc(CCC)cc2O)C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -20.128
InChIKey:YOJPFISTURZHJT-UHFFFAOYSA-N
ID: 114034
SMILES:c1(OC)c2c(cc(C)c1)-c1c(O)cc(CCC)cc1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -14.98
InChIKey:IJOUZHCEWFGIKN-UHFFFAOYSA-N
ID: 114035
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)cc2O)CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.27
InChIKey:WPJGAEFIBVPIDI-UHFFFAOYSA-N
ID: 114036
SMILES:Oc1cc(CCCCC)cc2c1C1CC(C(=O)O)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.707
InChIKey:OGXXAQFMAFTSRU-UHFFFAOYSA-N
ID: 114037
SMILES:O(c1cc(C)c(O)cc1CC=C(CCC=C(C)C)C)C(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -19.332
InChIKey:HAXRQCRJABYNJC-UHFFFAOYSA-N
ID: 114038
SMILES:c1(O)cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 114039
SMILES:Oc1cc(CCC)cc2c1C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.805
InChIKey:CDBDULHNWQRYSY-UHFFFAOYSA-N
ID: 114040
SMILES:C(C=C(C)CCC=C(C)CC(C=C(C)C)O)c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 400.603
CB1 binding score: -18.306
InChIKey:ZOBHENRKJIXDBM-UHFFFAOYSA-N
ID: 114041
SMILES:C1=CC2=C(OCC2C)C(=O)C2c3c(O)cc(CCCCC)cc3OC12C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.446
CB1 binding score: -15.426
InChIKey:ZWEXRVUHQYWPII-UHFFFAOYSA-N
ID: 114042
SMILES:C(C)(=O)OC1CC2C(C)(C)Oc3cc(CCCCCN=[N+]=[N-])c(I)c(O)c3C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 539.414
CB1 binding score: -17.118
InChIKey:QJWVIBRFUWZIJO-UHFFFAOYSA-N
ID: 114043
SMILES:C1(=C)C(=O)C(CC(C)C)C(c2c(O)cc(CCC)cc2O)C(C(C)=CCC=C(CCC=C(C)C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.744
CB1 binding score: -11.745
InChIKey:UWEDGDYQEGUDPP-UHFFFAOYSA-N
ID: 114044
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)(O)CC12)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.429
CB1 binding score: -17.847
InChIKey:PLPBSDHWEKNSJM-UHFFFAOYSA-N
ID: 114045
SMILES:Oc1cc(C2C=C(C)CCC2C(C)=C)c(C)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -17.282
InChIKey:CYXAQFLGANZUTR-UHFFFAOYSA-N
ID: 114046
SMILES:CC(C1Cc2c(cc(CCCCC)cc2O)OC1(C)C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.446
CB1 binding score: -16.901
InChIKey:PAANIHJVOZBOAR-UHFFFAOYSA-N
ID: 114047
SMILES:CC1C2=C(CC(C)(C)C2)C2(c3c(O)cc(CCCCC)cc3OC1C=C2)C(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.527
CB1 binding score: -15.96
InChIKey:WNANCXOEZAMJGR-UHFFFAOYSA-N
ID: 114048
SMILES:C1(C)=CC(O)C(c2c(O)cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.348
CB1 binding score: -13.987
InChIKey:FBWYWUFQWFJSSX-UHFFFAOYSA-N
ID: 114049
SMILES:c1(CC2C(=C(C)C)CCC(C)=C2)c(O)c(CC=C(C)C)c(O)cc1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -15.048
InChIKey:JGMCKEKYFBTSCT-UHFFFAOYSA-N
ID: 114050
SMILES:C=C1C(=O)OC2C1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -16.335
InChIKey:YPRZMEXTDGBKFN-UHFFFAOYSA-N
ID: 114051
SMILES:C(c1cc2c(cc1)C1(C)C(O2)C=CC(C)(C)O1)CCCCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -12.674
InChIKey:HTLZNRHYTBNERS-UHFFFAOYSA-N