ID: 114493
SMILES:C12C3c4c(O)cc(CCCCC)cc4OC(=O)C1(CO)C1(CC=C(C)C1(COC1C(O)C(O)C(O)C(COC(=O)C)O1)C3)C(=O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 646.686
CB1 binding score: -13.332
InChIKey:ZJNBBVKGXAEFRJ-UHFFFAOYSA-N
ID: 114494
SMILES:c1(O)ccc2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -18.541
InChIKey:DXDRGIVLXHOGHC-UHFFFAOYSA-N
ID: 114495
SMILES:C(C1Cc2c3c(cc(O)c21)C1C(C(C)(C)O3)CCC(C)(O)C1=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.061
InChIKey:GITDSISUXYKLDR-UHFFFAOYSA-N
ID: 114496
SMILES:c1(O)cc(CCCC)cc2c1C1C(C(C)(C(=O)CC=C(C)C)O1)C(OC)CC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -16.108
InChIKey:UXNQFLQYJOMTPR-UHFFFAOYSA-N
ID: 114497
SMILES:OCC(C)C1C2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -15.091
InChIKey:UDQODZCWHWUJJD-UHFFFAOYSA-N
ID: 114498
SMILES:O1c2c(c(OC)cc(CCCC)c2)C2CC(O)(C)CCC12C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.173
InChIKey:LJJWNGXQPONDOA-UHFFFAOYSA-N
ID: 114499
SMILES:C(CCc1cc(O)cc(C2C=C(C)CCC2C(C)C)c1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.513
CB1 binding score: -14.542
InChIKey:NKGZRKSYUCRXIU-UHFFFAOYSA-N
ID: 114500
SMILES:Oc1c(O)c(C2C(C(C)=C)CCC(CO)=C2)c(O)cc1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -15.367
InChIKey:BHWWMBZSWAOJSO-UHFFFAOYSA-N
ID: 114501
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC2C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.945
InChIKey:BMHWBDFIQAZUEO-UHFFFAOYSA-N
ID: 114502
SMILES:C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1C(OC(C)=O)C(C)=CC2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.374
InChIKey:PHAYUVBISKJGLG-UHFFFAOYSA-N
ID: 114503
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C=C(CCC=C(C)C2)C(=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -16.066
InChIKey:QGVJIEUEABQCQB-UHFFFAOYSA-N
ID: 114504
SMILES:O1c2cc(CCCCC)cc(O)c2C2C(C(=C)C)CCC(C)=C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.644
InChIKey:IEERHDNDIMSELQ-UHFFFAOYSA-N
ID: 114505
SMILES:C(C#N)OC(C)(C)C1C2C(C)(Oc3ccc(CCCCC)cc3C2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 355.522
CB1 binding score: -16.15
InChIKey:KENOPNXTBMGLPI-UHFFFAOYSA-N
ID: 114506
SMILES:c1(CC(C)C)c(OC)c(O)c2c(c1)OC(C)(C)C1CCC(C)C(O)C12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -11.745
InChIKey:BBAMAWIRJBTIKZ-UHFFFAOYSA-N
ID: 114507
SMILES:C(CC(=CCCC1(C)Oc2c(cc(O)cc2OC)C=C1)C)C1C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.803
InChIKey:CCWMHJJONRPUFY-UHFFFAOYSA-N
ID: 114508
SMILES:CC1(C)C=Cc2cc(CCC(C)=CC)c(C)cc2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.389
CB1 binding score: -15.203
InChIKey:XQTLEDNEDMBFNF-UHFFFAOYSA-N
ID: 114509
SMILES:c1(C=CC(C)CCC=C(C)C)cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -16.403
InChIKey:BBVVKGPTPSNOLQ-UHFFFAOYSA-N
ID: 114510
SMILES:C1C(C(C)=C)C(c2c(OC)cc(CCCCC)cc2OC)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.751
InChIKey:OKEADXNYZUFHJQ-UHFFFAOYSA-N
ID: 114511
SMILES:C1C(C)=CC2c3c(cc(CCCCC)cc3OC(C)=O)OC(C)(O2)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.254
InChIKey:YJVLAJLUPMEJQP-UHFFFAOYSA-N
ID: 114512
SMILES:S(CC(c1c(O)c2c(cc1OC)OC(C)(C)C1C2C=C(C)CC1)=O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.518
CB1 binding score: -17.51
InChIKey:DYNDFQKLNUOALH-UHFFFAOYSA-N
ID: 114513
SMILES:C1C(C(=C)C)CCC(C)C1=Cc1c(O)cc(CCCCC)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -15.716
InChIKey:RQMWDUGEFHORBW-UHFFFAOYSA-N