ID: 111448
SMILES:CC(=O)C1(c2c(O)c(C(=O)O)c(CCCCC)cc2O)C=C(C)CCC1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -13.057
InChIKey:ODEKUOWQBURRIY-UHFFFAOYSA-N
ID: 111449
SMILES:O=C1C(C)C2(O)C(C3C(C)(CC2)Oc2cc(CCCCC)cc(OC)c23)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -11.941
InChIKey:MVVVMXCTNBZUNX-UHFFFAOYSA-N
ID: 111450
SMILES:CC1=CC(c2c(O)cc(C)cc2O)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.979
InChIKey:GKVOVXWEBSQJPA-UHFFFAOYSA-N
ID: 111451
SMILES:c12cc(CCCCC)ccc1OC(C)(C)C1C2=CC(OO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -12.645
InChIKey:IUMYGLMXMCTWHB-UHFFFAOYSA-N
ID: 111452
SMILES:C12CCC3(C)Oc4cc(CCCCC)cc(O)c4C=C3C1=C(C)C(=O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.446
CB1 binding score: -13.01
InChIKey:IXHDBCBTJUIWFH-UHFFFAOYSA-N
ID: 111453
SMILES:Oc1c(C(=O)C2C(C(=CCC=C(C)C)C)CCC(C)=C2)c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.625
CB1 binding score: -15.929
InChIKey:BNNFFTZDKSCEFP-UHFFFAOYSA-N
ID: 111454
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)cc2O)CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.27
InChIKey:WPJGAEFIBVPIDI-UHFFFAOYSA-N
ID: 111455
SMILES:CC1=CC2C(CC1OC)C(C)(C)Oc1c2ccc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 272.388
CB1 binding score: -15.189
InChIKey:SITFLIBZZLUSIJ-UHFFFAOYSA-N
ID: 111456
SMILES:C(Cc1cc(CO)cc(O)c1)c1c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.593
CB1 binding score: -13.981
InChIKey:AAMIPHYSKPNLEI-UHFFFAOYSA-N
ID: 111457
SMILES:C1(=O)C(C=C(C)CCC=C(C)C)Oc2cc(CCCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -16.246
InChIKey:GWIBANPDTJBUQQ-UHFFFAOYSA-N
ID: 111458
SMILES:Oc1cc(CCCCC)c(C(OCC2=C(C)CCC2)=O)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -15.108
InChIKey:LWROUHXVGDFECZ-UHFFFAOYSA-N
ID: 111459
SMILES:Oc1c(C2C(C(=C)C)=CCC(C)(O)C2)c(O)cc(CCCCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -16.535
InChIKey:VSOYFRJHLIRDBR-UHFFFAOYSA-N
ID: 111460
SMILES:c1c2c(cc(O)c1)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -17.529
InChIKey:WQXFMLNUWABCFK-UHFFFAOYSA-N
ID: 111461
SMILES:c1c(C)c2c(cc1O)CC(CC(C)C)c1c3c(c(OC)cc1O)C2(C)CC(C=C(C)C)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.592
CB1 binding score: -14.494
InChIKey:NORLUMIOZDDWKH-UHFFFAOYSA-N
ID: 111462
SMILES:C(C1CC(C)C2C3c4c(O)cc(C)cc4OC(C)(C)C3C21)(C)(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.221
InChIKey:BVSJNOCDOOVODA-UHFFFAOYSA-N
ID: 111463
SMILES:C(CC=C(C)C1OC(=O)C(O)CC1)C(=CCc1c(O)c(C)cc(OC)c1)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.213
InChIKey:LNOAZJZWSGKZHA-UHFFFAOYSA-N
ID: 111464
SMILES:C1(C)=CC2C(C(C)(C)Oc3c2c(C)cc(O)c3)C(O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -14.45
InChIKey:VTNQDQJBCFTWOK-UHFFFAOYSA-N
ID: 111465
SMILES:C1C2(C)C(C)(C)Oc3cc(C)cc(O)c3C2C=C(C(C)C)C1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -17.106
InChIKey:BMEAYXYSZCNNOF-UHFFFAOYSA-N
ID: 111466
SMILES:CC1(C)Oc2c(cc(O)c(O)c2)C2C1CCC(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.748
InChIKey:UESOFUAUNDLWRH-UHFFFAOYSA-N
ID: 111467
SMILES:CC(=CCc1c(O)c(Br)c(C)cc1OC)CC1C=C(CCC=C(C)C)CCO1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 449.429
CB1 binding score: -14.263
InChIKey:JQMHAIOBSYCMHA-UHFFFAOYSA-N
ID: 111468
SMILES:Cc1ccc(C)c2c1C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.389
CB1 binding score: -17.282
InChIKey:RXHBPLHEPLQOLE-UHFFFAOYSA-N