ID: 90490
SMILES:C1(O)C(C)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.534
InChIKey:INKUWBOHCFHXTJ-UHFFFAOYSA-N
ID: 90491
SMILES:C(CCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -19.71
InChIKey:SFWRRSGOJSILSQ-UHFFFAOYSA-N
ID: 90492
SMILES:C(Cc1c2c(cc(O)c1)C=CC(C)(CCC=C(C)C)O2)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.371
InChIKey:LCLJVFKAFFYSTD-UHFFFAOYSA-N
ID: 90493
SMILES:C1=C(C)C(=O)CCC(C)(C)Oc2c(O)cc(CCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -15.736
InChIKey:SOEJZZCIRPHKDO-UHFFFAOYSA-N
ID: 90494
SMILES:c1(CCC(C)=O)c2c(ccc1O)C=CC(C)(CCC1C(C)(C)O1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -14.374
InChIKey:BJEDGXBCSJWVLE-UHFFFAOYSA-N
ID: 90495
SMILES:c12cc(CCCCC)cc(O)c1C1C(CC(C)(C)C1)C=C(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -15.204
InChIKey:NRSPYFNQKPVDSG-UHFFFAOYSA-N
ID: 90496
SMILES:C(C(C)C)CC(Oc1cc2c(c3c1Cc1c(cc(O)cc1O)O3)OC(C)(C)C1C2C=C(C)CC1)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.585
CB1 binding score: -16.944
InChIKey:WDJKYBHFPZIJQR-UHFFFAOYSA-N
ID: 90497
SMILES:C1(=O)CC2=C(c3c(O)cc(CCCCC)cc31)OC(C)(C)C1C2CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.501
CB1 binding score: -14.222
InChIKey:IXFLKDDGDNLQKL-UHFFFAOYSA-N
ID: 90498
SMILES:C(C)(OO)(C)C(OC)Cc1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.628
CB1 binding score: -15.849
InChIKey:OCHVEFOFQBUUOK-UHFFFAOYSA-N
ID: 90499
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.524
InChIKey:USODFRMMCODFKQ-UHFFFAOYSA-N
ID: 90500
SMILES:C(c1cc(OC)c2c3c1OC1(C)CCC(C3C1)C(C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.596
InChIKey:GZQNGICGGNZOOL-UHFFFAOYSA-N
ID: 90501
SMILES:C1CC2=C(c3c(cc(CCCCC#N)cc3)OC2)CC1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 295.426
CB1 binding score: -11.738
InChIKey:CONMYCUFQJOCSR-UHFFFAOYSA-N
ID: 90502
SMILES:C(O)C1(C)Oc2ccc(CCCCC)cc2C2CC(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -13.328
InChIKey:SHXZLTRJABUSET-UHFFFAOYSA-N
ID: 90503
SMILES:C1CCC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -14.358
InChIKey:FXFQQEJCOUWGEY-UHFFFAOYSA-N
ID: 90504
SMILES:c1cc2c3c(c1)C(CC)(C)CCC3C(CCCC(C)C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -15.263
InChIKey:CMXJYLRYKMRYCH-UHFFFAOYSA-N
ID: 90505
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(CCC=C(C)CCC=C(C)C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -19.601
InChIKey:JXEWSPILIYHMCP-UHFFFAOYSA-N
ID: 90506
SMILES:C(Cc1cc(O)cc(CC2=CCC3(OC3(C)C)C(C)=CC2=O)c1C)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -15.151
InChIKey:UQQTYUSJSUNAIY-UHFFFAOYSA-N
ID: 90507
SMILES:C(Cc1ccc(C)c(C2C=C(C)CCC2C(C)=C)c1O)(=O)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -14.041
InChIKey:WVEJLPIDRFWKAP-UHFFFAOYSA-N
ID: 90508
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: 90509
SMILES:O1c2cc(CCCCC)c(O)c(CC3C(C)(CC(CC(C)=C)O)C4OC3(C)CC4)c2C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.667
CB1 binding score: -15.107
InChIKey:CIJJPPOGMRISJV-UHFFFAOYSA-N
ID: 90510
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -18.354
InChIKey:OJTMRZHYTZMJKX-UHFFFAOYSA-N