ID: 53824
SMILES:CC1=C2C(C3C(CC1OC(=O)C)C1(CCl)Oc4c(c(O)cc(CCCCC)c4)C31)C(O)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 489.052
CB1 binding score: -16.482
InChIKey:PUDXCFPNQLUQBV-UHFFFAOYSA-N
ID: 53825
SMILES:CC1CC2=C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.622
InChIKey:NEBZNJDFIPBXCS-UHFFFAOYSA-N
ID: 53826
SMILES:c1(C)cc(O)cc2c1-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -17.334
InChIKey:HESKYZLBSIZEGS-UHFFFAOYSA-N
ID: 53827
SMILES:C1(C(=O)O)=C(C)CC2c3c(O)cc(CCCCC)cc3OC21C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: Not available
InChIKey:IIJDSOPBHNLNRU-UHFFFAOYSA-N
ID: 53828
SMILES:C1=Cc2c(O)cc(CCCCC)c(C(=O)OC)c2OC1(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.969
InChIKey:MFWUQUPFHGNVQF-UHFFFAOYSA-N
ID: 53829
SMILES:c1(OC)c(O)c(CCC=CC)cc2c1C1C(C(C)(C)O2)CCC(C)=1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.527
InChIKey:QRWPPZYZTKRBDX-UHFFFAOYSA-N
ID: 53830
SMILES:c1(C)c2ccoc2c(O)C2c3c(O)cc(CCC)cc3OC(C)(C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.419
CB1 binding score: -15.555
InChIKey:VDRCIJYSHQTJHX-UHFFFAOYSA-N
ID: 53831
SMILES:C12(c3c(cc(CCCCC)cc3O)O1)CCC(C(C)=C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -16.072
InChIKey:SQDRAEUUDGHMDW-UHFFFAOYSA-N
ID: 53832
SMILES:C1CC=C(C)CCC2C(C)(C)Oc3c(C(CC)C(=O)C(=C)C)c(O)cc(O)c3C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.608
CB1 binding score: -13.966
InChIKey:FLEXQHIPVQNMNE-UHFFFAOYSA-N
ID: 53833
SMILES:c12cc(CCCCC)cc(O)c1OC(CCC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.028
InChIKey:BNDLCGBREIIGHD-UHFFFAOYSA-N
ID: 53834
SMILES:O(CC)c1cc(CCCCC)cc(Oc2cc(O)c(CC=C(C)CCC=C(C)C)c(O)c2)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -14.589
InChIKey:AUMVTQBRMZGLSA-UHFFFAOYSA-N
ID: 53835
SMILES:C1=C(C)COc2cc(CCCCCC)cc(OC)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -14.942
InChIKey:KIBDYXAGVKNCKD-UHFFFAOYSA-N
ID: 53836
SMILES:C1=C(C)CCC2C(CO)(C)Oc3c(c(O)cc(CCCC(O)C)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -13.934
InChIKey:UKFZYPNSIZORIJ-UHFFFAOYSA-N
ID: 53837
SMILES:C1(C)=CC2C(C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.347
InChIKey:AITIPLSNMGATGJ-UHFFFAOYSA-N
ID: 53838
SMILES:Oc1c2c(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: 53839
SMILES:C(c1cc2c(cc1C)C(C)(C)Oc1cc3c(cc1C(C)(C)CCC3)o2)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.567
CB1 binding score: -16.278
InChIKey:DBRAPGVRHZFKKI-UHFFFAOYSA-N
ID: 53840
SMILES:C(c1cc(O)c(CC=C(CCC=C(C)C)CO)c(O)c1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -13.252
InChIKey:ZVXCXCGPQYQYRI-UHFFFAOYSA-N
ID: 53841
SMILES:C1(C(O)CC=C(C)CCC=C(C)C)(C)Oc2cc(Oc3cc(C)cc(O)c3)cc(C)c2C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.591
CB1 binding score: -15.506
InChIKey:GOSCUXVLDUMWLL-UHFFFAOYSA-N
ID: 53842
SMILES:C1C(c2c(O)cc(CCCCC)cc2O)(O)C(C)=CC(=O)C1=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.661
InChIKey:VDGGAGNQIAVHIA-UHFFFAOYSA-N
ID: 53843
SMILES:C1CC(C)(C)C(O)C2(C)Oc3c(c(O)cc(CCCCC)c3OC(C)=O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -15.308
InChIKey:MKYBOSSYFFXMEU-UHFFFAOYSA-N
ID: 53844
SMILES:COc1c2c(c(C(C)C=CC=CC)c(C)c1)OC(C)(C)C1C2C=C(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -13.004
InChIKey:LZRLKNAUQCTNKG-UHFFFAOYSA-N