ID: 11572
SMILES:CC12C=CC(C)C(C)C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.438
InChIKey:VWTNRTZKHQRSRL-UHFFFAOYSA-N
ID: 11573
SMILES:CC(C)C(=O)OC1c2c(OC(C)=O)cc3c(c2CC=C1C)C=CC(C)(CCC=C(C)C)O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.564
CB1 binding score: -10.847
InChIKey:YENHHCOXKFVCGN-UHFFFAOYSA-N
ID: 11574
SMILES:C1(C)=CC2c3c(cc(CCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 11575
SMILES:C12(C)C(C=C)CCC1Oc1c(c(O)cc(C)c1COc1cc(CCC)cc(O)c1)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.51
CB1 binding score: -15.186
InChIKey:AVVIJCZQFDKZQY-UHFFFAOYSA-N
ID: 11576
SMILES:c12c(O)cc(CCCCC)c(C(=O)O)c1OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 308.374
CB1 binding score: -17.25
InChIKey:YMMLIEXMRKUXNN-UHFFFAOYSA-N
ID: 11577
SMILES:C1(C)(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c2C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.331
CB1 binding score: -16.825
InChIKey:DEZOOYWMTLAASC-UHFFFAOYSA-N
ID: 11578
SMILES:c12cc(c(CCO)cc1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -16.142
InChIKey:QWMJJJWGTQQGEK-UHFFFAOYSA-N
ID: 11579
SMILES:C12C(C)=C(C)CC1C(C)(C)Oc1c2cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -14.188
InChIKey:WNUGKDBTPAGZLE-UHFFFAOYSA-N
ID: 11580
SMILES:c12c(cc(C)cc1O)OC1(C)CC(CC(C)(C)OC)C2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -13.997
InChIKey:LONKCTIHOLZUOS-UHFFFAOYSA-N
ID: 11581
SMILES:Oc1c(C(=O)CC(C)C)c(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.53
InChIKey:NROYKMSGPAXRQS-UHFFFAOYSA-N
ID: 11582
SMILES:C(CCC)c1cc(O)c2c(c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.1
InChIKey:IGHPHANYGIPSNW-UHFFFAOYSA-N
ID: 11583
SMILES:CC1(C)C(OC(=O)C)Cc2c(c3c(cc(CCCCC)cc3O)O1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.226
InChIKey:GTFWOEIYHTUEJW-UHFFFAOYSA-N
ID: 11584
SMILES:C1(C)=CC2C(CC1=O)C(C)(C)Oc1cc(CCCCC)c(C(=O)O)c(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -18.072
InChIKey:YOOZEGHUCWMIKR-UHFFFAOYSA-N
ID: 11585
SMILES:C(Cc1c(O)cc(CCCCC)cc1O)=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 11586
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCO)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.356
InChIKey:CZIJCDBAABZKRT-UHFFFAOYSA-N
ID: 11587
SMILES:C1(C)=CC(c2cc(CCCc3ccc(OC)cc3)ccc2O)C(C(=C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.54
CB1 binding score: -15.127
InChIKey:XKLOSRHCZWUWBI-UHFFFAOYSA-N
ID: 11588
SMILES:C1(C)=CC2=C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -20.728
InChIKey:RECLSNODOVFMMU-UHFFFAOYSA-N
ID: 11589
SMILES:Oc1c(O)c(CCCCC)c(C(=O)O)c(O)c1CC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -17.138
InChIKey:BZHWTNCHQIQETM-UHFFFAOYSA-N
ID: 11590
SMILES:COC1C(C)=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -17.432
InChIKey:OVVAFTWGRQKDEE-UHFFFAOYSA-N
ID: 11591
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(O)C2CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -18.335
InChIKey:SXUCWOZMXVDFAN-UHFFFAOYSA-N
ID: 11592
SMILES:c1c(-c2cc(O)c(CC=C(CCC=C(C)C)C)c(O)c2)c(O)c2c(c1F)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 506.658
CB1 binding score: -16.765
InChIKey:MYKWVDZRIGYRHO-UHFFFAOYSA-N