ID: 44458
SMILES:C(C1=C2C(C)(CCC1O)Cc1c(c(C(=O)O)c(CCCC)cc1O)O2)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -15.58
InChIKey:WXEQRPYFBGEPST-UHFFFAOYSA-N
ID: 44459
SMILES:O1c2cc(CCCCC)cc(O)c2C2C1(C)CCC1(OC(CC=C(C)C)C(C)C1C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Polyprenylated cyclic polyketides (Hop meroterpenoids)
MW: 440.624
CB1 binding score: -14.777
InChIKey:WSQSYNJWUDFZRN-UHFFFAOYSA-N
ID: 44460
SMILES:C1=C(C)C(=O)C2C(C)(C)Oc3c(c(OC)cc(CCCCCC)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -16.015
InChIKey:ANGXJOTUQJINCS-UHFFFAOYSA-N
ID: 44461
SMILES:c12c(cc(C(OC)=O)cc1)C(=O)C(c1c(O)cc(CCCCC)cc1)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.483
CB1 binding score: -15.174
InChIKey:JSFXMRKQZCHSHN-UHFFFAOYSA-N
ID: 44462
SMILES:c1(O)c2c(c(C(=O)C(CC)C)cc1)OC(C)(C)C1CCC1C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -15.745
InChIKey:UQYUALXEOFZYOU-UHFFFAOYSA-N
ID: 44463
SMILES:CC(C(c1c(O)c(C=O)c2c(c1O)C1C(C(C)(C)O2)CC(C)C=C1)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.278
InChIKey:ZKLUBOYDSITRSV-UHFFFAOYSA-N
ID: 44464
SMILES:c1(O)c(=O)c2c(cc(O)c1)OC(C)(C)C1C2C=C(C)C(O)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.342
CB1 binding score: -14.368
InChIKey:VFYOCZIQGGGUGP-UHFFFAOYSA-N
ID: 44465
SMILES:C12c3ccc(C)cc3OC(C)(C)C1CCC(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.037
InChIKey:TWNNHTGNOPUEHO-UHFFFAOYSA-N
ID: 44466
SMILES:C(Cc1cc(O)c(C2C=C(CCC=C(C)C)C(=O)O2)c(O)c1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.642
InChIKey:SPASQAHJKSUWKO-UHFFFAOYSA-N
ID: 44467
SMILES:O(CC)c1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C(=O)O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.653
InChIKey:BAGPGAFXJCAFPS-UHFFFAOYSA-N
ID: 44468
SMILES:CC(C(CCC(C)=CCCC1(C)C=Cc2c(c(C)cc(O)c2)O1)C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.693
InChIKey:ILHDDNUJPAPCSJ-UHFFFAOYSA-N
ID: 44469
SMILES:COC(=O)C1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.943
InChIKey:CCMWHLPOQSRJEP-UHFFFAOYSA-N
ID: 44470
SMILES:C(CCc1cc(C2C=C(C)CCC2C(=C)C)c(O)c(CC=C(C)C)c1O)=C(C)CCCC(CC(CC(C)C)=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 548.852
CB1 binding score: -15.985
InChIKey:OEQHYOWQMSHHTM-UHFFFAOYSA-N
ID: 44471
SMILES:O=C1C=C(C(O)=O)CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -15.552
InChIKey:VOPRATZYWMBRSS-UHFFFAOYSA-N
ID: 44472
SMILES:CC1=CC2C(C(C)(C)Oc3cc(CCCCC)c(C(=O)OC)c(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -18.882
InChIKey:PZGQMCZVNQZFFP-UHFFFAOYSA-N
ID: 44473
SMILES:C12CC(O)C(C)CC1c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.143
InChIKey:CIVSDEYXXUHBPV-UHFFFAOYSA-N
ID: 44474
SMILES:C1=CC(C)(C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -20.081
InChIKey:XLSYFQOJMWXOCT-UHFFFAOYSA-N
ID: 44475
SMILES:c1c(OC(C)=O)c(CC=C(CCC=C(C)C)C)c(O)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -18.767
InChIKey:OGCCABVUOZBTQV-UHFFFAOYSA-N
ID: 44476
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 44477
SMILES:C1(C(C)C)C(c2c(O)cc(CCC)cc2O)OC(C)(CCC=C(C)CCC=C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.684
CB1 binding score: -16.502
InChIKey:PMLAYBNNIRBCIW-UHFFFAOYSA-N
ID: 44478
SMILES:c1c(CC=C(C)CCC=C(C)CCC=C(C)C)cc(OC(C)=O)c2c1OCO2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -15.87
InChIKey:OIIFZPUTDQOOEF-UHFFFAOYSA-N