ID: 45046
SMILES:C(CCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -19.71
InChIKey:SFWRRSGOJSILSQ-UHFFFAOYSA-N
ID: 45047
SMILES:O(c1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(CO)CC1)C(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.267
InChIKey:ZKDFDGJCJAKSMH-UHFFFAOYSA-N
ID: 45048
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C2(O)C(N=C(C(C)(O)CC)C)CC1C(C)(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 417.59
CB1 binding score: -13.813
InChIKey:YCNUKDBMICMNLL-UHFFFAOYSA-N
ID: 45049
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(O)C(C)(CC2)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -14.933
InChIKey:VGZGHGILMBQGNX-UHFFFAOYSA-N
ID: 45050
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: 45051
SMILES:C1(C)(C)C2CCC(C)(O)CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 45052
SMILES:C(c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 45053
SMILES:c1c(O)c(O)c(CC(C2(C)C(C=CC(C)(O)C)=O)Oc3cc(CCCCC)cc(O)c32)cc1
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 454.563
CB1 binding score: -15.903
InChIKey:VYTJDKHNRWQGBT-UHFFFAOYSA-N
ID: 45054
SMILES:C123C(C(C)(C)CCC1O)CC(O)(C(C)(C)O2)Oc1c(O)cc(CCCCC)c(c2O3)CC1C2=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.594
CB1 binding score: -15.813
InChIKey:CLSVDADUBUDSKE-UHFFFAOYSA-N
ID: 45055
SMILES:C(CC)CCc1cc2c(c(O)c1)C1C(C(O)(C)C)CCC(CO)=C1C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.312
InChIKey:AFMWDYMAUMUFSQ-UHFFFAOYSA-N
ID: 45056
SMILES:C1(C)(C)C2C(c3c(O)cc(CCCC)cc3O)C=C(C=O)CCC2C(=C)CCC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -17.198
InChIKey:NAYNDQMQJNTNTA-UHFFFAOYSA-N
ID: 45057
SMILES:c12c(c(O)cc(C)c1)-c1c(O)cc(CCCCC)cc1OC(C)(C)c1ccc(C)c-2c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.561
CB1 binding score: -16.306
InChIKey:ZNAWTMMAVANLFR-UHFFFAOYSA-N
ID: 45058
SMILES:c1(O)cc(OC)c2c(c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.863
InChIKey:WHDAFDHUJCLHDY-UHFFFAOYSA-N
ID: 45059
SMILES:C=C1CCC(C(C)C)C2c3c(cc(CCCCC)c(C(=O)O)c3O)OC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.109
InChIKey:JSFVYZXAOWWSNT-UHFFFAOYSA-N
ID: 45060
SMILES:Oc1c(C(=O)CCCCC)cc2c(c1O)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.254
InChIKey:OLLFQXZPMRKMFO-UHFFFAOYSA-N
ID: 45061
SMILES:c1(O)cccc2c1C1(CC(=O)C(C)(C)O1)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.305
CB1 binding score: -15.733
InChIKey:XHCKTURMFRHEGN-UHFFFAOYSA-N
ID: 45062
SMILES:CC(=CCCC(=CCc1c(O)cc(CCCCC)cc1O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 45063
SMILES:C(C)CCc1cc2c(c(O)c1C(O)=O)C1C(CC=C(C)C)(CC(C(C)(O)C)O1)C(C)(c1cc(O)c(C)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 554.68
CB1 binding score: -15.054
InChIKey:WKINAPVFZSURRW-UHFFFAOYSA-N
ID: 45064
SMILES:C(CCCC)c1cc2c(c(OC)c1)C1C(C(C)(C)O1)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -17.912
InChIKey:RUMJYNJKFCZPND-UHFFFAOYSA-N
ID: 45065
SMILES:c1(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)ccc1N(C(O)=O)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 345.439
CB1 binding score: -13.658
InChIKey:BVKLRHIVYTUNAY-UHFFFAOYSA-N
ID: 45066
SMILES:C(CCCC)CCc1cc2c(c(O)c1)C1C=C(C)CCC2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.524
CB1 binding score: -15.522
InChIKey:LAVIOIBUUMUOFT-UHFFFAOYSA-N