ID: 37696
SMILES:C(O)C1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 37697
SMILES:CC(C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 37698
SMILES:C1C2(c3c(cc(CCCCC)cc3O)OC2C=C(C)C)C(=O)C(C)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -15.253
InChIKey:UHHFAZJFSOYHSC-UHFFFAOYSA-N
ID: 37699
SMILES:Oc1c(C=O)c2c(c(OO)c1C(C(C)CC)=O)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Phloroglucinols
Class: Cannabinoids;Phloroglucinol-terpene hybrids
MW: 388.46
CB1 binding score: -16.823
InChIKey:ZHKDIRDGRKRHPT-UHFFFAOYSA-N
ID: 37700
SMILES:C1C2c3c(cc(CCCCC)cc3O1)OC(C)(C)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -15.929
InChIKey:HODHSCXHGRXRRQ-UHFFFAOYSA-N
ID: 37701
SMILES:O1C(=O)C2C(C=CC(O)C2=C)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.38
CB1 binding score: -13.992
InChIKey:HMRMCWMSLPFBIO-UHFFFAOYSA-N
ID: 37702
SMILES:C1(=O)C=C2C(=C(C)C1)c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -15.73
InChIKey:ANIXXIYRTICKSG-UHFFFAOYSA-N
ID: 37703
SMILES:COc1cc2c(cc1CCCCC)OC(C)(C)C1=C(CC2)C(C)(C)OC2(C)C=CCC(C)(C)OC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.705
CB1 binding score: -17.448
InChIKey:LCZFWLCFFYZNPH-UHFFFAOYSA-N
ID: 37704
SMILES:CC(C)CCCC(C)=CCc1c(O)c(C(O)=O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -16.966
InChIKey:MMTAGSVAZBXWDD-UHFFFAOYSA-N
ID: 37705
SMILES:c1(=O)cc(CCCC)cc(OC2OC(CO)C(O)C(O)C2O)c(CC=C(CCC=C(C)C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.609
CB1 binding score: -12.495
InChIKey:RQNCIRBOXANPRU-UHFFFAOYSA-N
ID: 37706
SMILES:C1CC2(C)Oc3c(c(O)cc(C)c3)CC3C(C(C)C)=CC12C(C)(C)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.578
InChIKey:NKNAAUVAZXQQNT-UHFFFAOYSA-N
ID: 37707
SMILES:C(CC=C(C)C)C(=CCc1c(O)c(C(=O)O)cc(CCCCC)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 344.495
CB1 binding score: -19.654
InChIKey:TURBAOCYHPEVOM-UHFFFAOYSA-N
ID: 37708
SMILES:C(CCC)c1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.479
InChIKey:QHFVULIOBFWRAD-UHFFFAOYSA-N
ID: 37709
SMILES:C1(C(C)=C)C(c2c(O)cc(CCCCCO)cc2O)C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.648
InChIKey:QNZLGRXPYSZYSC-UHFFFAOYSA-N
ID: 37710
SMILES:c12c(cc(CCCCC)cc1OC)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 37711
SMILES:C12(C)C(C(=O)C=C1C)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.227
InChIKey:BFPCOPWAHWJASZ-UHFFFAOYSA-N
ID: 37712
SMILES:Oc1c2c(ccc1)OC(C)(C)C1C2CC(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -17.488
InChIKey:FXKRYASJSKNWGO-UHFFFAOYSA-N
ID: 37713
SMILES:C12(c3c(O)cc(C)cc3OC1(C)CCC=C(C)C)C(C)=CCC1C(=C)C(=O)OCC11C(C)CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.657
CB1 binding score: -15.467
InChIKey:CVHREOWNLNPASE-UHFFFAOYSA-N
ID: 37714
SMILES:C1(=O)C(CC=C(C2CCC(C)=CC2)C)(C)Oc2c(cc(O)c(C(=O)OC)c2CCCCC)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.607
CB1 binding score: -13.031
InChIKey:JUKLRSANEDHVJO-UHFFFAOYSA-N
ID: 37715
SMILES:CC1(C)OC2=CC(=O)c3c(c(O)cc(CCCCC)c3)C2(C)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -17.998
InChIKey:WYSNLXRMAXQITO-UHFFFAOYSA-N
ID: 37716
SMILES:Oc1cc(CCCCC)cc2c1C1CC(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.233
InChIKey:LXSFNMQURHTPIT-UHFFFAOYSA-N