ID: 42547
SMILES:OC12C(C)CCC1(O)Cc1c(cc(CCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -15.842
InChIKey:RCIIOQNPPLRTTO-UHFFFAOYSA-N
ID: 42548
SMILES:C(CC)(CC)c1c2c(c(C(=O)C(CC)C)c(O)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -13.674
InChIKey:JWCBOAJHFBOKFJ-UHFFFAOYSA-N
ID: 42549
SMILES:CC1=CC2C(CC1O)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.534
InChIKey:INKUWBOHCFHXTJ-UHFFFAOYSA-N
ID: 42550
SMILES:C1(C)(C)Oc2c(c(O)cc(CCC)c2)C2C=C(C(=O)O)C(CC1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -14.324
InChIKey:YLYMJNVSVOZFJI-UHFFFAOYSA-N
ID: 42551
SMILES:c1(C)c(OC)cc2c(c1CC(C)(C)O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -10.739
InChIKey:RVJWDPVWJZFWJP-UHFFFAOYSA-N
ID: 42552
SMILES:C(CCC)CCc1cc(O)c(CC=C(C)CC(C=C(CCC=C(C)C)C)O)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -14.694
InChIKey:ZJTTXEMQGZSMPY-UHFFFAOYSA-N
ID: 42553
SMILES:C1c2c(O)cc(CCCC)cc2C2C3(C(C(C)(C)O3)CCC2C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.215
InChIKey:ZWQOJNMDQUOIOR-UHFFFAOYSA-N
ID: 42554
SMILES:C(CCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC21)CCCC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -15.828
InChIKey:MQKVGNYKLJDLGP-UHFFFAOYSA-N
ID: 42555
SMILES:C1(OC(C)=O)C(OC(=O)C)C(Oc2c3c(cc(OC)c2OC)OC(C)(C)C2CCC(C)=CC23)OC(COC(=O)C)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 592.638
CB1 binding score: -16.384
InChIKey:OXVCYYOPTPYBSG-UHFFFAOYSA-N
ID: 42556
SMILES:c1(O)c2c(cc(CCCCC)c1)OC1(C)CC=C(C(C)C)C=C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -15.058
InChIKey:KCUHSHLHFKNLHD-UHFFFAOYSA-N
ID: 42557
SMILES:C(=CCC)Cc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.454
CB1 binding score: -15.03
InChIKey:WSZIAKHVMZAFQT-UHFFFAOYSA-N
ID: 42558
SMILES:O=Cc1c(O)c(CC=C(CCC=C(C)C)C)c(O)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 344.495
CB1 binding score: -19.069
InChIKey:ROXSKQXJGMFFHX-UHFFFAOYSA-N
ID: 42559
SMILES:Oc1c(C2C3=C(C(C)(O)C2)C2C(C(=C)C(=O)O3)CC=C2C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.537
CB1 binding score: -15.162
InChIKey:GETDABXSZFXBEQ-UHFFFAOYSA-N
ID: 42560
SMILES:O1c2c(c(O)cc(CCCCC)c2Br)C=CC1(CCC=C(CCC=C(C)C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 461.484
CB1 binding score: -15.633
InChIKey:DXUPWSZOWPVLNJ-UHFFFAOYSA-N
ID: 42561
SMILES:C1(C)=CC2C3C4(C2CC1)c1c(cc(CCCCCO)cc1O3)O4
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -15.724
InChIKey:LSZGXGFRIDCYSG-UHFFFAOYSA-N
ID: 42562
SMILES:C1=CC(C)(C)Oc2cc(CCCCC)c(C(OC)=O)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -15.929
InChIKey:YUIGQJYFYUIKRG-UHFFFAOYSA-N
ID: 42563
SMILES:c1(C)c(CC=C(CC2C(C(C)=C)CCC(CO)=C2)O)cc(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -12.522
InChIKey:LQQGVXIOZAOKHD-UHFFFAOYSA-N
ID: 42564
SMILES:c12c(c(CCCCC)ccc1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -17.105
InChIKey:HBIPQOCRSZLVER-UHFFFAOYSA-N
ID: 42565
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(CC=C(C)CCC=C(C)C)(O2)OC(C)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: -12.677
InChIKey:VBNOGCVODKMQHN-UHFFFAOYSA-N
ID: 42566
SMILES:CCCCCC(=O)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.998
InChIKey:WEXWEVHYGRTMNG-UHFFFAOYSA-N
ID: 42567
SMILES:C(Cc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)cc1)C(=CC(O)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -15.989
InChIKey:DNOSNKCNRBXGSD-UHFFFAOYSA-N