ID: 86983
SMILES:C(C)CC(=O)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -16.728
InChIKey:KDGJECSFPZVNRE-UHFFFAOYSA-N
ID: 86984
SMILES:C12(C(O)(C)C)Oc3c(c(O)cc(CCCCC)c3)C1CC(O)(C)C1CCC(O)(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cannabinoids;Guaiane sesquiterpenoids
MW: 432.601
CB1 binding score: -15.883
InChIKey:LZFNNJMVDOKTEU-UHFFFAOYSA-N
ID: 86985
SMILES:C1CC(C(=C)C)C(c2cc(CC[N+](C)(O)C)ccc2O)C=C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.465
CB1 binding score: -16.285
InChIKey:FMODVSHWIJQSIC-UHFFFAOYSA-O
ID: 86986
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 86987
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -19.859
InChIKey:WRBRAMOWKIFTPD-UHFFFAOYSA-N
ID: 86988
SMILES:OCc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(O)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -16.637
InChIKey:ZVIHYBHKMKVHEK-UHFFFAOYSA-N
ID: 86989
SMILES:C(C(C=Cc1c(O)cc(CCCCC)cc1O)=C)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.761
InChIKey:RNUWJDBDWZBBGD-UHFFFAOYSA-N
ID: 86990
SMILES:C1=CC(C)(C)C(c2c(O)cc(CCCC)cc2O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -14.364
InChIKey:JYPFJMPADXYIJX-UHFFFAOYSA-N
ID: 86991
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(O)(C)CCC2C(CCC=C(C)C)(C)O)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -16.974
InChIKey:JGKOKTNMPNIBNQ-UHFFFAOYSA-N
ID: 86992
SMILES:C1C(C(=C)C)C(c2c(OC)ccc(CCCCC)c2)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -18.084
InChIKey:GYWDFTHNGINNKN-UHFFFAOYSA-N
ID: 86993
SMILES:C(C)CCc1c(O)c2c(c(C)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.659
InChIKey:UPFRMBXKBPMGOE-UHFFFAOYSA-N
ID: 86994
SMILES:C(C)CC(c1c(C(C(=O)OC)CO)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -12.956
InChIKey:HUEMXVVBRLBKHM-UHFFFAOYSA-N
ID: 86995
SMILES:C1C2C(C)(C)Oc3c(c(O)c(CC=C(C)C)c(O)c3CCC(=O)C)C(C2)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -15.453
InChIKey:YJBGJOGDWRHPKL-UHFFFAOYSA-N
ID: 86996
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 86997
SMILES:C(C)CCCCc1c(C(=O)O)c(O)c(CC=C(C)C)c(OC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.429
CB1 binding score: -15.526
InChIKey:ALFIVNZMUQHYLO-UHFFFAOYSA-N
ID: 86998
SMILES:O=C(C(CCc1cc(C2C=C(C)CCC2C(=C)C)c(O)c(CC=C(C)CCC=C(C)C)c1)C(c1cc(O)ccc1)=O)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 570.77
CB1 binding score: -14.662
InChIKey:SNRSZZRQJKAZNJ-UHFFFAOYSA-N
ID: 86999
SMILES:CC1=CC(c2c(O)c(O)cc(CCCCC)c2)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.334
InChIKey:VEBHZTTZGZYZIW-UHFFFAOYSA-N
ID: 87000
SMILES:C12(C)CCC(C)=CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.425
InChIKey:FDLFYWSMIZLTQO-UHFFFAOYSA-N
ID: 87001
SMILES:C12CC=C(C=O)c3c(cc(CCCCC)cc3O)OC(C)(C)C1CCC2=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -15.519
InChIKey:FTGXUGULKUQEIO-UHFFFAOYSA-N
ID: 87002
SMILES:C(N)(=O)NNC1C(C(C)C)CCC(C)C12Cc1ccc(CCCCCC)cc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 385.596
CB1 binding score: -15.711
InChIKey:GZIUSMCCDDBHJC-UHFFFAOYSA-N
ID: 87003
SMILES:c12c(O)ccc(O)c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.988
InChIKey:FDECQIAQAVZRFF-UHFFFAOYSA-N