ID: 123901
SMILES:C1(O)CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -17.809
InChIKey:DMCFESRNYGRGSU-UHFFFAOYSA-N
ID: 123902
SMILES:C1CC(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C(=C)CCC2C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -17.761
InChIKey:HZSSEMXVVKNZBH-UHFFFAOYSA-N
ID: 123903
SMILES:c1(CC=C(CCC=C(C)C)C)c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 123904
SMILES:c1c(CCCCC)cc2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -19.248
InChIKey:ULSCPFQNHAPIEH-UHFFFAOYSA-N
ID: 123905
SMILES:C(C)CCCc1cc2c(c(O)c1)C1CC(C)(O2)CCC2C(=C)CCC(C1)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -15.482
InChIKey:DCGDSASASWXDFQ-UHFFFAOYSA-N
ID: 123906
SMILES:c1(C2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 123907
SMILES:C1CC2C(C)CCC2C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -17.571
InChIKey:OCZUJRVKTRHBLA-UHFFFAOYSA-N
ID: 123908
SMILES:C1(C)=CCC(c2c(O)c(CC(C)C)cc(O)c2CC=C(C)CCC=C(C)C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -14.636
InChIKey:QPNVSLZLUFZCEV-UHFFFAOYSA-N
ID: 123909
SMILES:CC(c1ccc2c(c1)-c1c(O)cc(C)cc1OC2(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.383
CB1 binding score: -15.192
InChIKey:YXQRQLQQLQWGIJ-UHFFFAOYSA-N
ID: 123910
SMILES:CC1=CC(c2c(O)cc(CCC)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 123911
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(O)(C)CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.488
InChIKey:SHKSNSDRGOBIPR-UHFFFAOYSA-N
ID: 123912
SMILES:NC1=C(C(C2CCC(C(C)=C)Cc3c(O)cc(CCCC(O)C)cc3O2)C)C=C(C)C1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 493.732
CB1 binding score: -14.926
InChIKey:RSRFUZCAKRDCAU-UHFFFAOYSA-N
ID: 123913
SMILES:C1CC(C)=CC2C(C1)C(C)(C)Oc1c-2cc(C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.389
CB1 binding score: -15.115
InChIKey:ALOKTIJPXULZOF-UHFFFAOYSA-N
ID: 123914
SMILES:C(C)(C1=CCC2(C)C1Cc1c(cc(CCCCC)cc1O)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.471
InChIKey:KNTUYQSDTDMEGR-UHFFFAOYSA-N
ID: 123915
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)C=C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -18.293
InChIKey:IRIXYUCJBSJDEF-UHFFFAOYSA-N
ID: 123916
SMILES:CC1(C)Oc2c(CCCCC)cc(O)cc2C2C=C(CO)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.427
InChIKey:XQDZPPPNDMZKGW-UHFFFAOYSA-N
ID: 123917
SMILES:O1C(C)(C)C2Oc3c(c(O)cc(C)c3)C2(C)C(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.305
CB1 binding score: -13.37
InChIKey:HGSMTZLMCAFRQL-UHFFFAOYSA-N
ID: 123918
SMILES:Oc1cc(CCCCC)cc2c1C1C(C)(CCC=C(C=O)C)OC12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -14.404
InChIKey:ILBWONHEQJJPSD-UHFFFAOYSA-N
ID: 123919
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C(=O)CC1CCC1=CC(=O)OC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -13.479
InChIKey:ZMGAGKURBMYCHX-UHFFFAOYSA-N
ID: 123920
SMILES:C12(C)Oc3cc(C)cc(O)c3C1CC(Cl)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.767
CB1 binding score: -16.124
InChIKey:JQIFDAJDGSGUPG-UHFFFAOYSA-N
ID: 123921
SMILES:C(OC(C(O)(CC(=O)c1c(O)c2c(cc1C)OC(C)(C)C=C2)C)=O)=CCCCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -14.092
InChIKey:MZGRBZPHKUDIQC-UHFFFAOYSA-N