ID: 36814
SMILES:C(=C(C)C)CCC1(C)Oc2cc(CCCCC)cc(O)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 36815
SMILES:Oc1c2c(cc(C(CC(O)C3OC3(C)C)=O)c(O)n2)cc(C2C=C(C)CCC2C(C)=C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 453.535
CB1 binding score: -14.276
InChIKey:QCMHBXMGNPCMPS-UHFFFAOYSA-N
ID: 36816
SMILES:C1C2c3c(cc(CCCC(O)CCCCC)cc3O)OC3C4C(C(O)COC4(O1)C(C)C2)OC3=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.593
CB1 binding score: -13.994
InChIKey:RCPXZBPRDGXJMG-UHFFFAOYSA-N
ID: 36817
SMILES:C12C(C)(C)Oc3cc(CCCCC)c(O)c(O)c3C1C1C(C)(CCC1(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -14.86
InChIKey:XNWLXVKRTSCNIZ-UHFFFAOYSA-N
ID: 36818
SMILES:CC1=CC(c2c(O)ccc([N+](=O)O)c2)C(C(=C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.34
CB1 binding score: -17.897
InChIKey:MTKVNUXJUDZPDF-UHFFFAOYSA-O
ID: 36819
SMILES:CC1CCC(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.501
CB1 binding score: -21.078
InChIKey:LXIXAVCVBZBXIY-UHFFFAOYSA-N
ID: 36820
SMILES:C(CCCc1cc(O)c(CC=C(C)C)c(O)c1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -14.314
InChIKey:OWSGVQBWIIDGKE-UHFFFAOYSA-N
ID: 36821
SMILES:C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 36822
SMILES:OCC1C(O)C(O)C(O)C(Oc2c(=O)c3c(c(CCCC)cc2O)OC(C)(C)C2CCC(C)=CC23)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 506.592
CB1 binding score: -12.551
InChIKey:PVXNBKOAGDTMOO-UHFFFAOYSA-N
ID: 36823
SMILES:C1(O)(c2c(O)cc(CCCCC)cc2O)C(C)(C)C2CCC1CC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.644
InChIKey:MUJYAPAQDADYCG-UHFFFAOYSA-N
ID: 36824
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(CCC=C(CO)C(=O)O)=O)c(O)c1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.568
CB1 binding score: -13.933
InChIKey:GNROOXQQYAKQSO-UHFFFAOYSA-N
ID: 36825
SMILES:c12c(O)cc(CCCC)cc1OC(CCC=C(C)C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -16.813
InChIKey:VNWBGXITDBPQSY-UHFFFAOYSA-N
ID: 36826
SMILES:C1c2c(O)c(C(O)=O)c(CCCCC)cc2OC(C)(CCC=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -17.201
InChIKey:WRDOPLLDCBRWNW-UHFFFAOYSA-N
ID: 36827
SMILES:CCCCCCc1cc2c(c(O)c1)C1C(CCC(C)=CC1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -15.849
InChIKey:DVBOPGHYBHNYOH-UHFFFAOYSA-N
ID: 36828
SMILES:O1C(=O)CC2(c3c(cc(CCCCCO)cc3OC)OC2(C)C)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.412
CB1 binding score: -15.649
InChIKey:FQLXTSVIONUBKW-UHFFFAOYSA-N
ID: 36829
SMILES:C12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CCC(O)(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -19.1
InChIKey:TXGFTFSVQKYNOL-UHFFFAOYSA-N
ID: 36830
SMILES:OC(=O)C12C3C(OC1=O)Oc1c(O)c(C(C)C(CC)O)cc4c1C(CC2C(C)(C)O)c3C(C)(C)O4
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.549
CB1 binding score: -16.52
InChIKey:BHIFBOOKYBXFQM-UHFFFAOYSA-N
ID: 36831
SMILES:C(CC=C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -18.19
InChIKey:XBLYAPBQCSTJSG-UHFFFAOYSA-N
ID: 36832
SMILES:C1CC(C)(C)C23C4(c5c(cc(CCCCC)cc5O)OC2(C)CC4)C(C=C(C)C)OC3(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.679
CB1 binding score: -15.786
InChIKey:ZZPZSQUIGDZAHE-UHFFFAOYSA-N
ID: 36833
SMILES:C(C)(C)CC(=O)c1c(O)cc(O)c2c1OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.385
InChIKey:KCKFCLWTUCSIQS-UHFFFAOYSA-N
ID: 36834
SMILES:c1(O)cc(CCCCC)c2c3c1C1C(C(=C)C)CC3C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.427
CB1 binding score: -15.2
InChIKey:MJGRCKARQJAOTJ-UHFFFAOYSA-N