ID: 93661
SMILES:c1(OC)cc(C2C=C(CO)CCC2C(=C)C)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -15.291
InChIKey:MFXUOZOTJZOWBO-UHFFFAOYSA-N
ID: 93662
SMILES:C1=C(C)CC(c2c(O)cc(CCCC)cc2O)C(C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -17.334
InChIKey:UOQAQJLARPRUBJ-UHFFFAOYSA-N
ID: 93663
SMILES:c12c(O)cc(CCCCC)cc1OC(CCCC(CCC=C(C)C)(C)C=C)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.658
CB1 binding score: -15.154
InChIKey:RXKZJUYJHRJLFH-UHFFFAOYSA-N
ID: 93664
SMILES:C1(C)(C)Oc2cc(CCCCC)c(O)c(O)c2C2CC(C)(O)CCC12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -16.726
InChIKey:DMNRPEORHATDBG-UHFFFAOYSA-N
ID: 93665
SMILES:C(CCC)Cc1cc(O)c2c(c1O)OC(C)(C)C1C2=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.65
InChIKey:YNFYZEUDFKVCQE-UHFFFAOYSA-N
ID: 93666
SMILES:O(C(C)=O)CCc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -17.59
InChIKey:WRDVKVLYPPJQJW-UHFFFAOYSA-N
ID: 93667
SMILES:C1=CC2C(C(C)C(c3c(O)cc(CCCCC)cc3)O2)C(CC(C)C)CC1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -16.467
InChIKey:HICXGFZDSVOUDZ-UHFFFAOYSA-N
ID: 93668
SMILES:C(C)(C)(C=C)Cc1c(O)c2c3c(c1)OC(C)(C)C1CCC(C)(O1)CC32
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.266
InChIKey:FCNOXUOFENVBHY-UHFFFAOYSA-N
ID: 93669
SMILES:C(Cc1c(O)cc(CCCCC)c(C(O)=O)c1O)=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 93670
SMILES:C1C(C)=CCC(C=O)(C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.393
InChIKey:ZNJRTESLOSGDDF-UHFFFAOYSA-N
ID: 93671
SMILES:c1(CCCCC)cc(O)c2c(c1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.349
InChIKey:PVWKYDHSQZSCHQ-UHFFFAOYSA-N
ID: 93672
SMILES:C1(Br)CC2(O)C(O)(C1)C(C)(C)Oc1cc(CCCCC)cc(C=C(C(=O)OC)C)c1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 497.426
CB1 binding score: -15.638
InChIKey:FXMKGAVPRAFIOT-UHFFFAOYSA-N
ID: 93673
SMILES:CC(C)=CCCC(=CCc1c(O)cc(CCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 93674
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1cc(C(C(C)=O)C)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -17.651
InChIKey:MHBLOUSMRHDEEY-UHFFFAOYSA-N
ID: 93675
SMILES:CC(C)=CC(=O)OC1CC(O)(C)C2=C(C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -13.031
InChIKey:JLRZLGMCFFVZMS-UHFFFAOYSA-N
ID: 93676
SMILES:C1(C)(C)Oc2c(c(O)cc(CCC)c2)C2C=C(C(O)=O)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -18.036
InChIKey:BTTRWQMCLAXICU-UHFFFAOYSA-N
ID: 93677
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1=C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -20.728
InChIKey:RECLSNODOVFMMU-UHFFFAOYSA-N
ID: 93678
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2(C)CCC3(C(C)CCC3C(C(C)=C)O)C2C1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -15.923
InChIKey:RLIRIOVQNKPQIV-UHFFFAOYSA-N
ID: 93679
SMILES:C1C2(C)CC3c4c(O)cc(CCCCC)cc4OC1(C)C3CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -14.907
InChIKey:CRRKJFZGWRJAII-UHFFFAOYSA-N
ID: 93680
SMILES:O(CC1=CC2C(C(C)(C)Oc3cc(CCCCC)cc(OC(=O)CCCCC)c32)CC1)C(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.65
CB1 binding score: Not available
InChIKey:ZGUJFHJEUZAITN-UHFFFAOYSA-N
ID: 93681
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(CC=C(C)C)(O2)C(=O)C(OC)=C(OC)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.498
CB1 binding score: -13.176
InChIKey:LBDIKICUVRTFRM-UHFFFAOYSA-N