ID: 42799
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.622
InChIKey:NEBZNJDFIPBXCS-UHFFFAOYSA-N
ID: 42800
SMILES:C(C12CC(c3c(cc(CCCCC)cc3O)O1)OC(C)(C)CC2)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -14.825
InChIKey:LPBWMGNSAZIOMO-UHFFFAOYSA-N
ID: 42801
SMILES:C(C=C(C)C)CC1(C)C2C3C(C)(Oc4c2c(O)cc(CCC)c4)C3CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -12.804
InChIKey:ABODFAABSTYEII-UHFFFAOYSA-N
ID: 42802
SMILES:C12c3c(c(CCCCC)cc(O)c31)OC(C)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -18.748
InChIKey:MZUNYNXVBMALAB-UHFFFAOYSA-N
ID: 42803
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 42804
SMILES:C(C)(c1cc2c(c3c1OC(CCC=C(C)C)(C)C=C3)C(C)(C)O2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -14.415
InChIKey:NNNDWTMRRSYGIX-UHFFFAOYSA-N
ID: 42805
SMILES:C(CNC(c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(OC)c1)O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 359.51
CB1 binding score: -15.633
InChIKey:NJWHMQOROWBSPP-UHFFFAOYSA-N
ID: 42806
SMILES:c1(CCCCC)c(C(=O)O)c(O)c2c(c1)OC1(C)CCC(CC=C(C)C)C(C)(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Polyprenylated cyclic polyketides (Hop meroterpenoids)
MW: 428.613
CB1 binding score: -15.368
InChIKey:JJTUQCBCTXCNHL-UHFFFAOYSA-N
ID: 42807
SMILES:C1CC(C)=CC2C1C(C)(C)Oc1c2c(O)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -17.493
InChIKey:ITYHJPGRQYSNFQ-UHFFFAOYSA-N
ID: 42808
SMILES:O1C(C)(C)C(O)CC12C(c1c(O)c(C(O)=O)c(O)c(C3C=C(C(C)C)CCC3C)c1)cc2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -16.542
InChIKey:BOIIHTDFMOYJSN-UHFFFAOYSA-N
ID: 42809
SMILES:C12C(C)(C)CCCC1(C)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.783
InChIKey:KPTGTVLDBMVBEX-UHFFFAOYSA-N
ID: 42810
SMILES:C12(C)CCC=C(C)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -16.388
InChIKey:WFXHJJMNKBBCFN-UHFFFAOYSA-N
ID: 42811
SMILES:C(CC)CCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 42812
SMILES:C1(CCC=C(C)C)(C)Oc2c(OCc3cc(O)cc(O)c3)cc(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -18.011
InChIKey:VSGOVYZZNOAFAR-UHFFFAOYSA-N
ID: 42813
SMILES:C(O)(CCCC(C)=CCCC(=CCc1c(O)cc(CCC)cc1O)C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.537
CB1 binding score: -15.669
InChIKey:ZHKVPMAEDKBOBO-UHFFFAOYSA-N
ID: 42814
SMILES:C(Cc1c(O)cc(CCCCC)cc1O)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 276.42
CB1 binding score: -16.065
InChIKey:HQACHPBGIFNTPM-UHFFFAOYSA-N
ID: 42815
SMILES:CC1(C)C2CCC(C)=CC2(C)c2c(cc(C)cc2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.389
CB1 binding score: -16.502
InChIKey:OEGLEYIRVYSTDB-UHFFFAOYSA-N
ID: 42816
SMILES:C1=C(C)C2C(C(C)(C)Oc3c(cc(CCCCC)cc3O)C2C=C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.929
InChIKey:PNSRTZIBJAFKSM-UHFFFAOYSA-N
ID: 42817
SMILES:CCCCc1cc(O)c2c(c1O)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -18.466
InChIKey:BXPQSBHZZIHXSC-UHFFFAOYSA-N
ID: 42818
SMILES:Oc1cc2c(c(O)c1)-c1cc(OC)c(CCCCC)cc1OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: Not available
InChIKey:UWVCZEOTBDUMLZ-UHFFFAOYSA-N
ID: 42819
SMILES:C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N