ID: 52585
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 52586
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.599
CB1 binding score: -17.658
InChIKey:DXCBDGSDSIFBNF-UHFFFAOYSA-N
ID: 52587
SMILES:c1(CCC2C(C=O)=C(CO)CC2)cc(CCC(OCCCC)=O)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -17.388
InChIKey:JGIPAHMZQDTOPI-UHFFFAOYSA-N
ID: 52588
SMILES:C1(c2c(O)cc(CCCCC)cc2O)C(O)C(C)(C)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 280.364
CB1 binding score: -16.107
InChIKey:VTCZEEPOFIDLBJ-UHFFFAOYSA-N
ID: 52589
SMILES:CC(=O)OCC1=CC2c3c(c(OC)cc(O)c3)OC(C)(C)C2CC1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.395
CB1 binding score: -15.974
InChIKey:LWHAYALVBRPEPJ-UHFFFAOYSA-N
ID: 52590
SMILES:O=C1Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC2C(=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -15.588
InChIKey:FOVDKLRTRYMUTC-UHFFFAOYSA-N
ID: 52591
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 52592
SMILES:c1(Oc2c3c(cc(CCCC)c2)OC2(C)CC4C(C4(C)C)CC3C(=C)CC2)sccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.661
CB1 binding score: -12.894
InChIKey:WUJHGNWEWSUSDY-UHFFFAOYSA-N
ID: 52593
SMILES:C(Cc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2)C=CC(C)=CC(C(=O)O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -15.428
InChIKey:YSPVGZFTHMTDRQ-UHFFFAOYSA-N
ID: 52594
SMILES:c12cc(O)ccc1C(=O)C(CCCC(C)(C)O)(O)C1C(O2)C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.643
CB1 binding score: -15.956
InChIKey:YPPCXSDDAYCVQM-UHFFFAOYSA-N
ID: 52595
SMILES:c12c(c(CCC)cc(O)c1)C=CC(CCCC(C)(C)O)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -15.212
InChIKey:ACHOAPUIYLXSNW-UHFFFAOYSA-N
ID: 52596
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 52597
SMILES:C1(C)=CCCC(=C)C2C(CC1)C(C)(C)Oc1cc(C)ccc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.454
CB1 binding score: -16.703
InChIKey:AQOARTDZFKUASW-UHFFFAOYSA-N
ID: 52598
SMILES:C1(C(O)(C)C)C(c2c(O)cc(CC)cc2O)C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -17.272
InChIKey:IBBUPAJATJVVHX-UHFFFAOYSA-N
ID: 52599
SMILES:C(=Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(=C)C(=O)C1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -15.881
InChIKey:UBISFGDHKDSGHQ-UHFFFAOYSA-N
ID: 52600
SMILES:Oc1c2c(c(C(O)=O)c(CCCCC)c1)OC(C)(C)C1=CCC(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -10.927
InChIKey:IMHIDQJSHBUFPB-UHFFFAOYSA-N
ID: 52601
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 52602
SMILES:CC(C1(O)CCC2(C)C1C(=O)CC1(C)Oc3c(c(O)cc(CCCCC)c3)C1C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -12.983
InChIKey:HIDRVYJFORJZIR-UHFFFAOYSA-N
ID: 52603
SMILES:C(=O)(N1Cc2c(cc(CCCC)cc2O)OC1CC)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 277.364
CB1 binding score: -14.468
InChIKey:VNJIVAKIDXTCMK-UHFFFAOYSA-N
ID: 52604
SMILES:c1c2c(cc(CCCC)c1O)OC(c1ccc(OC)cc1)C(CCC(C)CCCc1ccccc1)C2
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 486.696
CB1 binding score: -11.29
InChIKey:RFPCLWZXBJYHLY-UHFFFAOYSA-N
ID: 52605
SMILES:C(CCCc1cc2c(c(O)c1)C1CC(C(=C)CCC(O)C(C)=C)C1O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -14.418
InChIKey:LZHFYNLGUSOONV-UHFFFAOYSA-N