ID: 83245
SMILES:C1(c2c(O)cc(CCCCC)cc2O)C(C(CO)C)=CCC(COC(=O)C(C)=CC)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.584
CB1 binding score: -13.271
InChIKey:GQBUYPBTDHVCAV-UHFFFAOYSA-N
ID: 83246
SMILES:C(C)CCCCc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 83247
SMILES:C1C(C)(O)C2C(c3c(cc(CCCCC)cc3O)O2)C=C(C(O)=O)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -13.16
InChIKey:LDNZBFBTDALVQS-UHFFFAOYSA-N
ID: 83248
SMILES:O(c1cc(CCCCC)cc(O)c1C1C=C(CCC=C(C)C)C(=O)O1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.32
InChIKey:IFESJQLSBVMDMJ-UHFFFAOYSA-N
ID: 83249
SMILES:C(CCCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -20.649
InChIKey:ZHYPKENABBMAAN-UHFFFAOYSA-N
ID: 83250
SMILES:C1(C)=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 83251
SMILES:C(Cc1c(O)cc(CCCCC)cc1)=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.003
InChIKey:KXYIDYXHLDYCQN-UHFFFAOYSA-N
ID: 83252
SMILES:CCCCCc1cc2c(c(O)c1)C1=C(C(CCC=C(CCC=C(C)C)C)(C)C(O)CC1)OC2C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.744
CB1 binding score: -15.154
InChIKey:LYEZWUSOBLPFPI-UHFFFAOYSA-N
ID: 83253
SMILES:C12(O)C(CCC(C)=C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.313
InChIKey:XIIAOXXFRJHRGJ-UHFFFAOYSA-N
ID: 83254
SMILES:C1CC2C(C)(c3ccoc3CC2-2c3c(cc(CCCCC)cc3O)OC2(C)C)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.609
CB1 binding score: -15.717
InChIKey:NENAGJGKQXPQME-UHFFFAOYSA-N
ID: 83255
SMILES:c12c(c(O)cc(CCCCC)c1)-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 83256
SMILES:CC(=CC)C(OCc1cc(O)c2c(c1C(C)C)OC(C)(C)C1CCC(C)(O1)C2)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -16.207
InChIKey:KMFQJRZTCYVJMT-UHFFFAOYSA-N
ID: 83257
SMILES:C(C)(=O)OC1C2C(C(C)(C)Oc3cc(CCC)ccc31)OC(=O)C2=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.407
CB1 binding score: -15.124
InChIKey:IISQTYIRJHMQFA-UHFFFAOYSA-N
ID: 83258
SMILES:O=C1C23Oc4cc(C)cc(O)c4C2C(CCC=C(C)C)(C)C1C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -15.057
InChIKey:JHMFJVGIZGCBPM-UHFFFAOYSA-N
ID: 83259
SMILES:C1(=O)CC(C)Oc2c3c(cc(CCCCC)c21)OC(C)(C)C3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -12.783
InChIKey:KBSWLIFHUNCEKH-UHFFFAOYSA-N
ID: 83260
SMILES:OC12C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.313
InChIKey:XIIAOXXFRJHRGJ-UHFFFAOYSA-N
ID: 83261
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 83262
SMILES:O=C(C1C=C2c3c(c(C)cc(OC(=O)C)c3)OC(C)(C)C2CC1C)C=CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -13.72
InChIKey:HRFDYMHLLLWTGK-UHFFFAOYSA-N
ID: 83263
SMILES:c12cc(CCCCC)cc(O)c1C1C(C(C)(C)O2)CCC(C(=O)O)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 83264
SMILES:c1(C=O)c(CCCCC)cc2c(c1O)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.059
InChIKey:IVRCBDVTRVUPTL-UHFFFAOYSA-N
ID: 83265
SMILES:C(C(C1=C(O)C(Cc2c(O)c(C3C=C(C)C(O)CC3C(=C)C)c(C(C(C)C)=O)c(O)c2)OC1=O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.616
CB1 binding score: -17.436
InChIKey:CPUCJOVVCGZAGT-UHFFFAOYSA-N