ID: 85492
SMILES:CC1=CC(O)C2c3c(cc(C)cc3)OC(C)(C)C2CC1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 272.388
CB1 binding score: -17.026
InChIKey:JJLVTQGHPQUIMD-UHFFFAOYSA-N
ID: 85493
SMILES:C1=C(C)C(=O)CC2C(C)(C)Oc3c(c(O)cc(CCC)c3)C12O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -16.691
InChIKey:VMCAIFFAVPZPLN-UHFFFAOYSA-N
ID: 85494
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(O)CCC1C(C)C)C(=O)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.592
InChIKey:JYUDUCFKKHLUSJ-UHFFFAOYSA-N
ID: 85495
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 85496
SMILES:c1(CCCCC)cc2c(c(O)c1)C1CC(C(C)=O)CCC1(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.6
InChIKey:CMEFAYYKSHJMAN-UHFFFAOYSA-N
ID: 85497
SMILES:C1(C)=CCC(O)C(C)=CC2C(CC1)C(C)(C)Oc1c(C(=O)C(CC)C)c(O)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -13.411
InChIKey:HKILPZCOFDCKJV-UHFFFAOYSA-N
ID: 85498
SMILES:C1(C)=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OCC(C)C1CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -13.093
InChIKey:GBRNVNSIYQSACJ-UHFFFAOYSA-N
ID: 85499
SMILES:O1c2cc(CCCCC)cc(O)c2C2C=C(C(=O)OC)CCC12C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.356
InChIKey:SZQTZOUPXMMFBE-UHFFFAOYSA-N
ID: 85500
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C(O)=O)C3CC123
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -13.94
InChIKey:ZLZPHEOEWUPBLK-UHFFFAOYSA-N
ID: 85501
SMILES:C(CCCCCc1cc2c(c(O)c1)C1(CC(C(C)(C)O)C=CC(C)CC1)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -12.916
InChIKey:PKSXPIGUJAJORM-UHFFFAOYSA-N
ID: 85502
SMILES:C1(C)(CCCC(CCC=C(C)C)(O)C)Oc2c(cc(C(=O)NCCc3ccccc3)cc2O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 479.661
CB1 binding score: -15.407
InChIKey:QKWDIXWWEFEDTI-UHFFFAOYSA-N
ID: 85503
SMILES:c1(O)ccc(Cc2c(C(O)=O)cccc2)c2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.468
CB1 binding score: -12.183
InChIKey:XJWKFHCPKMZVBL-UHFFFAOYSA-N
ID: 85504
SMILES:CC(CCCC1(C)Oc2c(CC=C(C)C)c(CCCCC)cc(O)c2CC1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.619
CB1 binding score: -16.83
InChIKey:WDKAKVBOTURQPK-UHFFFAOYSA-N
ID: 85505
SMILES:O(CC(=CC)c1c(O)cc(CCCCC)cc1)C(C)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -13.899
InChIKey:ZJDYVKLPMKNSEQ-UHFFFAOYSA-N
ID: 85506
SMILES:C12Oc3c(C(O)=O)c(CCCCC)cc(O)c3C1C=C(C)CCC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -14.79
InChIKey:QEAGZGUOCITSDM-UHFFFAOYSA-N
ID: 85507
SMILES:c12c(OCC3C(C)(CC=CC(C)(O)C)Oc4c3cc(O)c(C)c4)cc(O)cc1OC(C)(C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.59
CB1 binding score: -13.13
InChIKey:XBFJBDPRKHQPMJ-UHFFFAOYSA-N
ID: 85508
SMILES:C(CC(C)=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 85509
SMILES:C(CCCCC)Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -18.354
InChIKey:OJTMRZHYTZMJKX-UHFFFAOYSA-N
ID: 85510
SMILES:OC(C)(C1CCC(C)=CC1c1c(O)cc(C)cc1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -17.637
InChIKey:CHUDUQRJNYLFSG-UHFFFAOYSA-N
ID: 85511
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 85512
SMILES:C(C)(=CCCC(=CCCC(C)=CCc1c(O)cc(CCCCC)cc1O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 384.604
CB1 binding score: -20.123
InChIKey:WYEFRBILENQYOH-UHFFFAOYSA-N