ID: 42589
SMILES:O(C)c1c2c(cc(CCCCC)c1)OC1C3(C)C(=O)OC(C1)CC32
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.299
InChIKey:CRUYGNBAKIWXSZ-UHFFFAOYSA-N
ID: 42590
SMILES:O=c1c(C2C(O)C(O)C(O)C(CO)O2)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.485
CB1 binding score: -14.685
InChIKey:NTCLKKRPLAUCFJ-UHFFFAOYSA-N
ID: 42591
SMILES:CC1(C)C2CCC(C)=CC2c2c(c(C(C(C)C)=O)c(O)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -18.957
InChIKey:VIYAGNJWEOQORJ-UHFFFAOYSA-N
ID: 42592
SMILES:c1(C(=O)C(C)C)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -18.304
InChIKey:MLCYRUTXUZZKHD-UHFFFAOYSA-N
ID: 42593
SMILES:COc1ccc2c(c1)OC(C)(C)C1CCC(O)(C)C(=O)C21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -15.367
InChIKey:LTKRSBGZFMWXHF-UHFFFAOYSA-N
ID: 42594
SMILES:C1(C)=CC(c2c(O)cc(C)cc2O)C(C(O)(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -17.637
InChIKey:CHUDUQRJNYLFSG-UHFFFAOYSA-N
ID: 42595
SMILES:c1(CCCCC)cc(OC)c(C2C=C(CCC=C(C)C)C(=O)O2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.32
InChIKey:IFESJQLSBVMDMJ-UHFFFAOYSA-N
ID: 42596
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.055
InChIKey:AOYYFUGUUIRBML-UHFFFAOYSA-N
ID: 42597
SMILES:Oc1c2c(cc(CCCC)c1O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.622
InChIKey:VDBHLVDXYYWQMO-UHFFFAOYSA-N
ID: 42598
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(O)cc(C)c3C23C1(C)C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -13.633
InChIKey:YGEOINHMIWDTKK-UHFFFAOYSA-N
ID: 42599
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C1(C)CCC1C(C)(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.569
InChIKey:DTDRPGIOLDMKLT-UHFFFAOYSA-N
ID: 42600
SMILES:C1(C)(O)CCC2C(C)(C)Oc3c(c(OC(=O)C)cc(CCCCC)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -17.252
InChIKey:CPRFHMGDHALOQP-UHFFFAOYSA-N
ID: 42601
SMILES:CC1(CCC=C(C)C)C2CCC(C)=CC2c2c(cc(O)cc2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.763
InChIKey:KTIOUNQBYYDWKL-UHFFFAOYSA-N
ID: 42602
SMILES:C=C(CO)C1CCC(C)=CC1c1c(C)cccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -16.485
InChIKey:DNAJMSNHEQAVTA-UHFFFAOYSA-N
ID: 42603
SMILES:C12OC1(C)CCC1C(C)(C)Oc3c(c(O)cc(CCCCCC)c3)C1CC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -13.401
InChIKey:NZAIAJIWVJGNBI-UHFFFAOYSA-N
ID: 42604
SMILES:Oc1cc(CCCC)cc2c1C1(C)C(C(C(CCC=C(C)C(=O)O)C)=CC1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -12.073
InChIKey:ABICRJHVBAPWKL-UHFFFAOYSA-N
ID: 42605
SMILES:C1C2C(C)(CCC3C(C(=C)C)CC(O)C3(C)C=C2)Oc2c(C(O)=O)c(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.634
CB1 binding score: -14.047
InChIKey:SDAVXZAKOXESQZ-UHFFFAOYSA-N
ID: 42606
SMILES:CC(=CCc1c(O)cc(CCCCC)cc1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 42607
SMILES:c1cc(C)c2c(c1)C(=O)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.447
CB1 binding score: -17.334
InChIKey:BSSMXBGPTJBXDH-UHFFFAOYSA-N
ID: 42608
SMILES:C(CC)Cc1c(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c2c1c(C=C(C)C)cc(CCC=C(C)C)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 486.74
CB1 binding score: -14.92
InChIKey:OOVRXYFCRAZWKR-UHFFFAOYSA-N
ID: 42609
SMILES:C(C1C2C(c3c(O)cc(CCCCC)cc3O1)OC(C)(C(CO)O)C2)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -14.61
InChIKey:VJAASAGUCXRLQM-UHFFFAOYSA-N