ID: 98533
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)(O)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.252
InChIKey:JQMQGJWDFIQDGZ-UHFFFAOYSA-N
ID: 98534
SMILES:C1(C)(C)Oc2c(c(O)cc(CCC)c2)C2C1CCC(O)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -19.509
InChIKey:XAJXLANJASZEBB-UHFFFAOYSA-N
ID: 98535
SMILES:C1(C(=C)C)CCC(C)=CC1c1c(O)c(CC=C(CO)CCC=C(C)C)cc(Br)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 459.468
CB1 binding score: -13.994
InChIKey:YZLMNRKSWIGOFC-UHFFFAOYSA-N
ID: 98536
SMILES:C(C1C2C(CCC1)C(C)(C)Oc1cc(CCc3ccccc3)cc(O)c12)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.567
CB1 binding score: -15.221
InChIKey:KPKOJAZUZFUIKK-UHFFFAOYSA-N
ID: 98537
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2OC(CCC(C)=C)C2C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.949
InChIKey:CMQYIOLPEJGDGF-UHFFFAOYSA-N
ID: 98538
SMILES:CC(C)=CCC1(O)Oc2c3c(cc(CCCCC)c2O)OC2(C)CCC(C(C)(C)O1)C23
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -15.407
InChIKey:MJGMGNPXNONDCA-UHFFFAOYSA-N
ID: 98539
SMILES:O(C(N)=O)c1c2c(c(OC)c(C(=O)CC(C)C)c1O)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 417.502
CB1 binding score: -14.636
InChIKey:UXUSNMMWGACVRF-UHFFFAOYSA-N
ID: 98540
SMILES:C1(=C)CCC(C(=C)C)C(c2c(O)cc(C)cc2O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -16.868
InChIKey:JGZSDZXNHSKGNP-UHFFFAOYSA-N
ID: 98541
SMILES:C(CC(O)=O)CCCC(O)C(Oc1c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CCC(C)=C1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 502.648
CB1 binding score: -14.015
InChIKey:PEYRUJZYLZANAM-UHFFFAOYSA-N
ID: 98542
SMILES:C(C)CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -16.563
InChIKey:SNPHSPHUPGUCAY-UHFFFAOYSA-N
ID: 98543
SMILES:NCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C2C(C(O)CC(C)=C2)C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 383.532
CB1 binding score: -15.552
InChIKey:GIRGMZQDNBRUTF-UHFFFAOYSA-N
ID: 98544
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 98545
SMILES:O(c1c(C2C(C(C)=C)CC(O)C(C)=C2)c(O)cc(O)c1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -16.391
InChIKey:ZNDYOQLLPZYPDE-UHFFFAOYSA-N
ID: 98546
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1OC(=O)C(C)=C1CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -16.438
InChIKey:CCBIMHCMOBNHQQ-UHFFFAOYSA-N
ID: 98547
SMILES:C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 98548
SMILES:C1(C(=C)C(O)COC(C)=O)CC2c3c(cc(CCCCCO)cc3O)OC(C)CC2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.557
CB1 binding score: -15.204
InChIKey:JPXCWBVPLDUTLS-UHFFFAOYSA-N
ID: 98549
SMILES:c1c(O)c(C2C=C(C)CCC2C(=C)C)c(O)c(OC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -18.273
InChIKey:QQKRWAQYJVGZFH-UHFFFAOYSA-N
ID: 98550
SMILES:C(C=C(CCC=C(CCC=C(C)C)C)C)c1c(O)cc(CCc2ccc(O)cc2)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -19.427
InChIKey:VVBVATXKSUVSTB-UHFFFAOYSA-N
ID: 98551
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)c1c-2cc(C)cc1)N=C(C(=O)O)CSCC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 535.75
CB1 binding score: -14.009
InChIKey:NNRUYLLBRQPXLP-UHFFFAOYSA-N
ID: 98552
SMILES:Oc1cc(CCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 98553
SMILES:OC1(C)CCC(C(C)(O)C)CC2c3c(O)cc(CCCCC)cc3OC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -16.551
InChIKey:KSEXSBMPTKXTTD-UHFFFAOYSA-N