ID: 39565
SMILES:c12cc(CCCCC)cc3c1c1c(cc(O)c(=O)c(C)c1-2)C(CCC(O)C(=C)C)(C)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.549
CB1 binding score: -13.358
InChIKey:CPXDVUFGJFSLIA-UHFFFAOYSA-N
ID: 39566
SMILES:c1(CCC(CO)=O)cc(CCCCC)cc2c1OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -12.155
InChIKey:JVHGNSCIDRXHEU-UHFFFAOYSA-N
ID: 39567
SMILES:C1(O)CC(C)(C)Oc2c1c(O)cc(CCCCC(C)=O)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -12.045
InChIKey:SHLGZDPOFCRMFG-UHFFFAOYSA-N
ID: 39568
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)-c2c1ccc(C)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 39569
SMILES:Oc1c(OC2CC(O)C(O)C(CO)O2)c(CCCCC)cc2c1C1C(C(=C)C)CCC(C)(O2)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.61
CB1 binding score: -14.707
InChIKey:GULNZRIRFNTGFP-UHFFFAOYSA-N
ID: 39570
SMILES:Oc1ccc2c(c1C)-c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -16.521
InChIKey:BIASKAGDXXVPHU-UHFFFAOYSA-N
ID: 39571
SMILES:C1C(C)CC2=C(C1O)c1c(cc(CCC)cc1O)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -13.932
InChIKey:NBRSAGSGQPYZHO-UHFFFAOYSA-N
ID: 39572
SMILES:C(C)(CCC=C(C)C)=CCc1cc(O)cc(C)c1OC(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.936
InChIKey:HBMZKHKKECAQEH-UHFFFAOYSA-N
ID: 39573
SMILES:C12C(C)(C)Oc3c(c(OC)cc(CCCCC)c3)C1C=C(C(OC)=O)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.744
InChIKey:PHMDZVOTWMTZQH-UHFFFAOYSA-N
ID: 39574
SMILES:CC(=O)Oc1ccc2c(c1)CC1C(CC(C(OC)=O)(C)C(O)C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.449
CB1 binding score: -13.948
InChIKey:MHCIBICYAUIASW-UHFFFAOYSA-N
ID: 39575
SMILES:CCCCCc1c(O)ccc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.906
InChIKey:GBWKZNXOMGUIDC-UHFFFAOYSA-N
ID: 39576
SMILES:C1CC(C(C)=C)C(c2c(O)cc(CCC)cc2O)CC(CO)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -13.527
InChIKey:BTAJZVHSCXQDIT-UHFFFAOYSA-N
ID: 39577
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 39578
SMILES:C(C)(=O)OCC1=CC2C(C(C)(C)Oc3cc(C)c(OC(C)=O)cc32)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -14.486
InChIKey:WNHJLRYYTGHGHC-UHFFFAOYSA-N
ID: 39579
SMILES:C(CCCCC)C(c1c(O)c2c(c(C=O)c1O)C1C(CCC(C)=C1)C(C)(C)O2)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -12.924
InChIKey:UYJGHMLESUPRPO-UHFFFAOYSA-N
ID: 39580
SMILES:Oc1c2c(cc(CCCCCO)c1)OC(C)(C)C1C2C(O)C(O)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -16.719
InChIKey:ARQIVUVXCBDACW-UHFFFAOYSA-N
ID: 39581
SMILES:C1CC2C(C(O)C1C)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.338
InChIKey:UBDCGMQYWOWTIM-UHFFFAOYSA-N
ID: 39582
SMILES:CC1(C)Oc2cc(O)cc(Br)c2C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 323.23
CB1 binding score: -18.196
InChIKey:NBXOFTXSMPOWHI-UHFFFAOYSA-N
ID: 39583
SMILES:C(O)C1=C(C)C(=O)CC2(C)C1(C)C(=O)c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -17.615
InChIKey:MMQYGPYGSKLSLT-UHFFFAOYSA-N
ID: 39584
SMILES:c1(C(O)=O)cc(CCCC)cc2c1OC(CCC=C(C)C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.135
InChIKey:FQZBWSZOCANELI-UHFFFAOYSA-N
ID: 39585
SMILES:C1(C)=CCC(C(=C)C)CC1c1ccc(CCCCC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -16.964
InChIKey:FRHWEKOZROXAID-UHFFFAOYSA-N