ID: 48658
SMILES:C1(C)=CCCC2(C)Oc3c(c(OC(C)=O)c(CCCCC)cc3O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -11.814
InChIKey:BVXBKMVWBDOYKO-UHFFFAOYSA-N
ID: 48659
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(O)(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 48660
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C(=O)C(O)=C(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -12.181
InChIKey:FOBIJGBVAXDZPQ-UHFFFAOYSA-N
ID: 48661
SMILES:O=C1C2CC(C(=C)C)=CCC2(C)Cc2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.491
CB1 binding score: -15.502
InChIKey:LLEPBEMOKDXGGF-UHFFFAOYSA-N
ID: 48662
SMILES:C1(O)C(O)C2(O)C(O)c3c(O)cc(CCCCC)cc3OC(C)(C1)OC(C)(C)C2O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.506
CB1 binding score: -14.956
InChIKey:KPDMXPZESFHXBY-UHFFFAOYSA-N
ID: 48663
SMILES:c1(CCCOC(CCCCCCCC=CCCCCCCCC)=O)cc(OC)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 580.894
CB1 binding score: -14.148
InChIKey:BDEBWPUVLRKPHH-UHFFFAOYSA-N
ID: 48664
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)c1c-c3c(cc(O)c(C(C)C)c3)C1(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.593
CB1 binding score: -15.288
InChIKey:WKLGROWWGURPCY-UHFFFAOYSA-N
ID: 48665
SMILES:C12OC13CC(=O)C(C)=CC3c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -17.281
InChIKey:AMQFZFDVQFSUBY-UHFFFAOYSA-N
ID: 48666
SMILES:C(C(C)C1(O)CCC(C)(C=C)C(c2c(O)cc(CCCCCO)cc2O)O1)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.563
CB1 binding score: -15.493
InChIKey:RSNIFOKPLZOBMG-UHFFFAOYSA-N
ID: 48667
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)CCCCCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.685
CB1 binding score: -17.833
InChIKey:FTEQFDQPPLHHRU-UHFFFAOYSA-N
ID: 48668
SMILES:c1c(OC)ccc2c1OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -17.781
InChIKey:BNQJIOBVNUXALY-UHFFFAOYSA-N
ID: 48669
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)CCC2)cc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.405
CB1 binding score: -15.048
InChIKey:JYOCYVRQWGYWHT-UHFFFAOYSA-N
ID: 48670
SMILES:C1(=C(C)C)CCC(C)CC1c1c(O)ccc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -15.929
InChIKey:MEKDDSZEXJVNIZ-UHFFFAOYSA-N
ID: 48671
SMILES:C12C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C1C=C(C(=O)OC)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.943
InChIKey:CCMWHLPOQSRJEP-UHFFFAOYSA-N
ID: 48672
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -18.354
InChIKey:OJTMRZHYTZMJKX-UHFFFAOYSA-N
ID: 48673
SMILES:CC1(C)C2CCC(C)=CC2c2c(O)c(O)cc(CCCCCO)c2-1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.246
InChIKey:SYSGHUGLQAFJRM-UHFFFAOYSA-N
ID: 48674
SMILES:C(CCC)Cc1c(C(=O)O)c2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.492
CB1 binding score: -16.19
InChIKey:SVAKQAXEENWSMU-UHFFFAOYSA-N
ID: 48675
SMILES:C1C=C(C)CCC2C(C)(C)Oc3c(c(C)cc(=O)cc3)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: Not available
InChIKey:PHIIXBLTSKEYRU-UHFFFAOYSA-N
ID: 48676
SMILES:C12C(C)(C)Oc3c(c(O)cc(C)c3)C1C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 48677
SMILES:c1(O)cccc(C(OC2C3c4c(cc(CCCCC)cc4O)OC2(C)C=CC(C)C3(C)C)=O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.602
CB1 binding score: -13.39
InChIKey:MBCCGNTYGLSRHU-UHFFFAOYSA-N
ID: 48678
SMILES:C(CCCCc1cc2c(c(O)c1)C1=C(C(C)(CCC=C(C)C)C(O)CC1)OC2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.521
InChIKey:KHBMVANYTVXVSB-UHFFFAOYSA-N