ID: 95530
SMILES:c1(CCC)c(CO)cc2c(c1OC)C=CC(C)(CCC=C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.533
InChIKey:FLMFNLJRMLMBNT-UHFFFAOYSA-N
ID: 95531
SMILES:c1(C)c(CC2C(CCC=C(C)C)=CCCC2C)c(C)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -13.746
InChIKey:RQFHUNMGOJAJKD-UHFFFAOYSA-N
ID: 95532
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 95533
SMILES:C(CCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(CO)C1)c1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.566
CB1 binding score: -18.199
InChIKey:KYVSNMRPAFUBAM-UHFFFAOYSA-N
ID: 95534
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 95535
SMILES:Oc1cc(C#Cc2c3c(c(CCCCC)cc2O)OC(C)(C)C2C3C(O)C(C)(O)C2)c(O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.574
CB1 binding score: -16.141
InChIKey:JILSDFNJNBGKOT-UHFFFAOYSA-N
ID: 95536
SMILES:C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.129
InChIKey:ZTGXAWYVTLUPDT-UHFFFAOYSA-N
ID: 95537
SMILES:c1c2c(cc(CCCCC)c1)OC(CCC=C(C)C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.836
InChIKey:QPUQQECEKAFRDR-UHFFFAOYSA-N
ID: 95538
SMILES:Oc1c(C(O)=O)c(CCCCC)cc2c1C1C(C(O)(C)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -16.688
InChIKey:AQOYYYXONBJKLT-UHFFFAOYSA-N
ID: 95539
SMILES:C12C(=O)C(C)C3C(c4c(O)cc(CCCCN=C=C)cc4OC3(C)C)(O1)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 381.472
CB1 binding score: -16.347
InChIKey:PFALVLKZCUBBHQ-UHFFFAOYSA-N
ID: 95540
SMILES:C(=C)(C)C1CC(O)C(C)=CC1c1c(O)cc(CCCCC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.628
InChIKey:IERRHQRZTSKZCS-UHFFFAOYSA-N
ID: 95541
SMILES:c1c2c(c(C(=O)C(CC)C)c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.176
InChIKey:NMMFXPKEKGZORB-UHFFFAOYSA-N
ID: 95542
SMILES:O(CC1=CCC2C(C1)c1c(cc(CCCCC)cc1O)OC2(C)C)C1C(O)C(O)C(O)C(CO)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.609
CB1 binding score: -16.943
InChIKey:DDFZDMWSKCBTMR-UHFFFAOYSA-N
ID: 95543
SMILES:c1(CCCC)cc2c(c(O)c1O)C1(C(CCCO)C(C)=CC(C)(C)C3CCC(O)(C)C13C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.639
CB1 binding score: -16.438
InChIKey:QPGKRLXMEZRNRF-UHFFFAOYSA-N
ID: 95544
SMILES:O1C(C)(C)C2C(CCC(C)=C1)C(O)=C(C(C)C(OC)=O)C(=O)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 322.401
CB1 binding score: -15.449
InChIKey:HECITTQZIOUNFH-UHFFFAOYSA-N
ID: 95545
SMILES:CC1(C)Oc2c(c(O)cc(CCCC)c2)C2C=C(C(=O)O)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -17.51
InChIKey:LVQZQKXEEYFSQO-UHFFFAOYSA-N
ID: 95546
SMILES:C(C(=O)OC1(C)OC2(C(C)=CC3c4c(cc(C)cc4O)OC23C(C(=CC)C)C(C)=CC)CN1)C(C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 523.714
CB1 binding score: -13.529
InChIKey:BLSMHGJRVUJAAI-UHFFFAOYSA-N
ID: 95547
SMILES:C1(c2c(O)cc(CCCCC)cc2O)C(C(C)C)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 95548
SMILES:C1(CC(C)(C)C)C(C)(C)Oc2ccc(O)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 234.339
CB1 binding score: -17.436
InChIKey:TXGHUIMHLALSGY-UHFFFAOYSA-N
ID: 95549
SMILES:Oc1c(CC=C(C)CCC=C(CCC=C(C)C)C)c(O)c(C(=O)O)c(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 428.613
CB1 binding score: -18.353
InChIKey:QNRJPRFPLQBROG-UHFFFAOYSA-N
ID: 95550
SMILES:CCCCCCc1cc2c(cc1O)OC(C)(C)C1=C2C(O)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.934
InChIKey:LQBOVXJWATWLIO-UHFFFAOYSA-N