ID: 31333
SMILES:O=COc1cc(CCCCC)cc2c1C1C=C(C(=O)O)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -15.532
InChIKey:REQOGXHVUOFDGC-UHFFFAOYSA-N
ID: 31334
SMILES:C(CCCCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -16.564
InChIKey:UZOOUOIKLIZZCO-UHFFFAOYSA-N
ID: 31335
SMILES:CC1(O)Cc2c(OC(C)=O)c3c(c(CCC)c2O)OC(C)(C)C2CCC(C)C(CC21)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -16.582
InChIKey:FNZSHUHFTCEYQI-UHFFFAOYSA-N
ID: 31336
SMILES:C(C)CCc1cc2c(cc1O)C=CC(C)(CCC=C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.699
InChIKey:IGGYOPAEODAEIA-UHFFFAOYSA-N
ID: 31337
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(CO)C(O)CC1C(C)(C)O2)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -15.374
InChIKey:JKWKBACMKGLLCY-UHFFFAOYSA-N
ID: 31338
SMILES:Oc1cc(CCCCC)cc(O)c1C1C(CC=C(C)C)C(C)(OC(C)=O)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.044
InChIKey:SNFSDUIBIXDFON-UHFFFAOYSA-N
ID: 31339
SMILES:C(=C(C)C)C(=O)CC(C)=CCc1c(O)c2c(c(C(=O)CCCCC)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 492.7
CB1 binding score: -16.251
InChIKey:NGQDRVPBDNMQAI-UHFFFAOYSA-N
ID: 31340
SMILES:O(C)C1C(C)=C2C3C(C(C)(C)Oc4c(C(C)CC)c(OCC=C(C)C)ccc42)CCC(=C)C3C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.69
CB1 binding score: -15.562
InChIKey:APFIARAAMCUVOL-UHFFFAOYSA-N
ID: 31341
SMILES:C(C(C)C)(C(c1cc(O)c(C(CC(C)C)=O)c2c1OC(C)(C)C1CCC(C)=CC12)O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -12.207
InChIKey:VWWJNNUWEZLUME-UHFFFAOYSA-N
ID: 31342
SMILES:C1CC(C)(C)C2C(C)(C1)C1c3c(O)cc(CCCCC)cc3OC(C1O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -10.641
InChIKey:OJOZBLMIMCHBAE-UHFFFAOYSA-N
ID: 31343
SMILES:C12C(C)(CCC(C(C)=C)C3OC13)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.631
InChIKey:DEBXFQLMDFWMQM-UHFFFAOYSA-N
ID: 31344
SMILES:Oc1c2c(cc(CCCC)c1O)OC(C)(C)C1C2C=C2C(C)(C)CC=CC2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -14.642
InChIKey:LVFWWHYDFCVZPR-UHFFFAOYSA-N
ID: 31345
SMILES:c1c(C=CCO)c2c(c(O)c1)C1C(C(C)(C)O2)CC(C(=O)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -13.623
InChIKey:FIEIYWWEQYHVOG-UHFFFAOYSA-N
ID: 31346
SMILES:c1c(CCCCC)cc2c(c1O)C1CC(=CCCC1(C)C)C(C)(C)OC2=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -16.411
InChIKey:LKGMRBOPYPKWNO-UHFFFAOYSA-N
ID: 31347
SMILES:c1(CCC)cc2c(c(O)c1)C1CC(C)(O2)CCC1C(O)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -17.624
InChIKey:RRQVSLLVCGRJNI-UHFFFAOYSA-N
ID: 31348
SMILES:C1(O)CC2(C)Oc3c(c(O)cc(CCCCC)c3)C3OC(=O)C(=C)C3CC2C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: Not available
InChIKey:URRAZJXDNFWOSY-UHFFFAOYSA-N
ID: 31349
SMILES:c1(OC)cc(CCCC)cc2c1OC(C)(C)C1C2C=C(COC(C)=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -14.652
InChIKey:BUXZQGMNVHQCHC-UHFFFAOYSA-N
ID: 31350
SMILES:c1(CCCCC)ccc2c(c1)OC(CCC=C(C)C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.589
CB1 binding score: -16.655
InChIKey:HTLBRLMJASIGFG-UHFFFAOYSA-N
ID: 31351
SMILES:C12C3C1(C(C)CCC3C(CO)C)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -14.454
InChIKey:MUGAYZREMDPUIX-UHFFFAOYSA-N
ID: 31352
SMILES:O=Cc1c(O)c2c(cc1CCCC)OC(C)(C)C1C2(O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.104
InChIKey:PIBLWAGYHBYSJA-UHFFFAOYSA-N
ID: 31353
SMILES:C(CCCC=CC(=O)Oc1c2c3c4c(cc(C)c3)OC(C)(C)C(C1)C4C(=O)C2(C)C(=C)C)c1C(C)(C)C2CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 582.825
CB1 binding score: -14.929
InChIKey:IPZVHWJFYAHVDM-UHFFFAOYSA-N