ID: 84001
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 84002
SMILES:CC(C)C1CCC2(O)Cc3c(O)c(C(=O)O)c(CCCCC)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.574
CB1 binding score: -14.897
InChIKey:KMMNUBOENNVCJF-UHFFFAOYSA-N
ID: 84003
SMILES:C=C1C2C(C(C(=C)CO)C(=O)C1)c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -15.058
InChIKey:REGKFPHDLTYLNT-UHFFFAOYSA-N
ID: 84004
SMILES:c1c(O)ccc2c1OC(C)(C)C1C2C=C(C)C(OC(=O)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -15.321
InChIKey:BFZQOFQRRRIWQV-UHFFFAOYSA-N
ID: 84005
SMILES:C(C(c1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)=O)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.502
InChIKey:BQKGPRINCDCBDJ-UHFFFAOYSA-N
ID: 84006
SMILES:C(CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 84007
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.821
InChIKey:CUWJKLPAOPPJHN-UHFFFAOYSA-N
ID: 84008
SMILES:c1c(CCCCC)cc2c(c1O)OC(C)(C)C1CC=C(C(=O)O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.232
InChIKey:VOSIUROXKQMZTJ-UHFFFAOYSA-N
ID: 84009
SMILES:C12C(CO)C3C(C(C)(C)Oc4cc(CCCCC)cc(O)c43)C1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -16.452
InChIKey:AXUZWEQSYLKOAR-UHFFFAOYSA-N
ID: 84010
SMILES:Oc1c(O)c(CCCCC)cc2c1C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -18.012
InChIKey:UHVHVJGGPNBAJX-UHFFFAOYSA-N
ID: 84011
SMILES:c1(CCO)cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -16.072
InChIKey:HRNVNLRENOFKED-UHFFFAOYSA-N
ID: 84012
SMILES:C12C(C)=CCC=C(C)CCC1C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -16.438
InChIKey:RKFJOVWGJMXWHZ-UHFFFAOYSA-N
ID: 84013
SMILES:C(CCC=C(C)C)(C)=CCc1c(O)c(C)cc(OC(=O)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.522
InChIKey:PITQHPHVMREBJR-UHFFFAOYSA-N
ID: 84014
SMILES:Oc1c(CCC)c2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.736
InChIKey:QISJIWJIPSJGNH-UHFFFAOYSA-N
ID: 84015
SMILES:C(Cc1cc2c(c(O)c1)C1C(CCC(CO)=C1)C(C)(C)O2)COC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.633
InChIKey:QEYWWJOGRSITLB-UHFFFAOYSA-N
ID: 84016
SMILES:O=C1OC2(c3c(cc(CCCCC)cc3O)OC2(C)C)CC1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -16.62
InChIKey:GDUMOVAXMZSATL-UHFFFAOYSA-N
ID: 84017
SMILES:c1(O)c(=O)cc(CCCCC)cc2c1OC(CCC=C(C)C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.225
InChIKey:QSBIXYXNVJDTQO-UHFFFAOYSA-N
ID: 84018
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 84019
SMILES:C1(C)(C)OC2(C)C3C(OC(C)=O)C=C(C)C3C1c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -14.568
InChIKey:JLXZJZUBNAQCNQ-UHFFFAOYSA-N
ID: 84020
SMILES:C(c1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)C1=C2)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -17.592
InChIKey:MRNKHCHAXUSMLO-UHFFFAOYSA-N
ID: 84021
SMILES:C1(C)(C)C2C(c3c(cc(CCCCC)cc3O)O1)C1C3OC3(C)C2C(O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -11.685
InChIKey:KVOJTYFOJOSWQR-UHFFFAOYSA-N