ID: 58675
SMILES:CC1=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 58676
SMILES:Oc1c(CC=C(CCC=C(CCC(O)C(C)=C)C)C)c(OC(C)=O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.64
CB1 binding score: -16.521
InChIKey:OCZXCZNHFHUYCM-UHFFFAOYSA-N
ID: 58677
SMILES:C1(C)=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: 58678
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.98
InChIKey:DALAPULHEYBQAX-UHFFFAOYSA-N
ID: 58679
SMILES:C1C(C)CC2C(C(OC(=O)C)CC(C)=CC1c1c(C)cc(O)cc1O)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -15.965
InChIKey:NEAJBMJGACMRRO-UHFFFAOYSA-N
ID: 58680
SMILES:C(CCCc1cc2c(c(OC)c1)C1C=C(C(CCC=C(C)C)C)OC1CC(c1cc(C)co1)OC2=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 504.711
CB1 binding score: -12.373
InChIKey:CVHXLXHWDRJYTL-UHFFFAOYSA-N
ID: 58681
SMILES:CCC(C(c1c(O)cc(O)c2c1OC(C)(C)C1CC=C(C)CC21)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.463
InChIKey:IROHPWZWUSKHIL-UHFFFAOYSA-N
ID: 58682
SMILES:C(CCCC)c1ccc(O)c(CC=C(CCC=C(C)C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.441
InChIKey:VPIIPBDTVZXIEC-UHFFFAOYSA-N
ID: 58683
SMILES:c1(CCCCC)ccc(OC)c(C2C=C(C)CCC2C(=C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -18.084
InChIKey:GYWDFTHNGINNKN-UHFFFAOYSA-N
ID: 58684
SMILES:C(CC=C(C)C)C(C)(C=Cc1cc(CCCCC)cc(O)c1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.083
InChIKey:DNKAMZYUHQOBHG-UHFFFAOYSA-N
ID: 58685
SMILES:C(CCC(C)(Cc1cc(CC2CC(C)(O)CCC2C(CCC=C(C)C)=C)c(O)c(O)c1)OC(C)=O)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 514.747
CB1 binding score: -15.358
InChIKey:VIRLBIIBNMGBKJ-UHFFFAOYSA-N
ID: 58686
SMILES:CC1C2=C(c3c(c4c(O)cc(CCCCC)cc4O3)OC2(C)C)C(O)C2(OC2C(=C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.564
CB1 binding score: -17.388
InChIKey:LLNXWYJZQNQQOF-UHFFFAOYSA-N
ID: 58687
SMILES:CC(C1C(c2c(O)cc(CCCCCO)cc2O)CC(C)=CC1=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -17.083
InChIKey:TUJSWWIBRRDPKK-UHFFFAOYSA-N
ID: 58688
SMILES:C1CC2C(C)(C)Oc3cc(CCCC)c(C(=O)O)c(O)c3C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.936
InChIKey:TZFPIQSSTVIJTQ-UHFFFAOYSA-N
ID: 58689
SMILES:CC1(C)C2C(C=C(C)CC2)c2c(cccc2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.438
InChIKey:CBEWCUWSPDDHMI-UHFFFAOYSA-N
ID: 58690
SMILES:CC(C(OC)=O)CCC(=O)C1(C)C2C3c4c(c(OC)cc(CCCCC)c4)OC(C)(C)C3CC1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 486.649
CB1 binding score: -13.418
InChIKey:BMEBZGJZQNXQMG-UHFFFAOYSA-N
ID: 58691
SMILES:O=C(O)c1c(O)c(CC=C(CCC=C(C)C)C)c(O)cc1CCC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.186
InChIKey:NDACWZXJZISXGD-UHFFFAOYSA-N
ID: 58692
SMILES:Oc1c(O)c2c(cc1CCC)OC(C)(C)c1c-2cc(C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.382
CB1 binding score: -15.26
InChIKey:IUMBWOTWKACMHF-UHFFFAOYSA-N
ID: 58693
SMILES:C1(C)(CCC=C(C)C)Oc2c(c(O)cc(CCCCC=CCC)c2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -14.474
InChIKey:VCBDMKQAINZLAO-UHFFFAOYSA-N
ID: 58694
SMILES:C1CC(O)C(C)(C)C2C1c1c(cc(CCCC)cc1O)OC2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -15.166
InChIKey:DTKJBXMNXGHUDK-UHFFFAOYSA-N
ID: 58695
SMILES:C12C=C(C)CCC1C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N