ID: 25537
SMILES:CC1=CC(c2c(O)cc(CCCCC)cc2O)C(C(O)(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 25538
SMILES:c1(C(C(C)CC)=O)c(O)c2c(cc1OC)OC(C)(C)C1C2C=C(C(OC)=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -15.732
InChIKey:PVOHFCDMSGMLBT-UHFFFAOYSA-N
ID: 25539
SMILES:C1C(C)C2C(C)(CC3c4c(cc(CCCCC)cc4O)OC3(C)CC2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -14.564
InChIKey:UZFLYNKEWOUUOE-UHFFFAOYSA-N
ID: 25540
SMILES:c1(CCCCC)cc(OC)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 25541
SMILES:C=C(C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 25542
SMILES:C(CCC=C(C)C)(C)=CCc1c(O)cc(OC)c(O)c1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -15.635
InChIKey:VQTAONJHKWZBFI-UHFFFAOYSA-N
ID: 25543
SMILES:CC1CC(O)c2c(c(O)cc(CCCCC)c2)C1C1(C)CCC(=O)C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -13.368
InChIKey:DDVQUCPUZWVKQJ-UHFFFAOYSA-N
ID: 25544
SMILES:c1(C=O)c(O)cc2c(c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -17.81
InChIKey:CLZZKMPGTDWPPM-UHFFFAOYSA-N
ID: 25545
SMILES:C(c1c(O)c(Cl)c2c(c1)OC(C)(C)C1CC=C(C)CC21)C(C(C)=C)Cl
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 381.343
CB1 binding score: -14.801
InChIKey:OEOWKESMMWPWSH-UHFFFAOYSA-N
ID: 25546
SMILES:O1CC(CCc2c3c(cc(C)c2C)OC(C)(C)c2C3C=CC2)CC1(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.653
CB1 binding score: -15.86
InChIKey:CRFNBVRYYZGFGP-UHFFFAOYSA-N
ID: 25547
SMILES:c1(C)c(Cc2c(OC(C)=O)c(OC(=O)C)cc(CCCCC)c2)cc2c(c1O)C(C(CCC=C(C)C)C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 534.737
CB1 binding score: -14.583
InChIKey:KMEZOTGPUNTQOV-UHFFFAOYSA-N
ID: 25548
SMILES:C1=C(C)CCC(C(C)=C)C1(O)c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.242
InChIKey:UMTGBNLDLSBPSN-UHFFFAOYSA-N
ID: 25549
SMILES:CC1=C(C(=O)CC(C)=CCc2c(OC)c(C)cc(O)c2)OC2(CC1C)OC(CO)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.567
CB1 binding score: -13.516
InChIKey:CTZYNGXDDBBHSV-UHFFFAOYSA-N
ID: 25550
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 25551
SMILES:C1(C)C(=O)C2=C(C3C=C(C)CCC3C(C)(C)Oc3cc(C)c(Cl)cc32)C(=O)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.913
CB1 binding score: -16.961
InChIKey:SXNHTJDBUKVMJJ-UHFFFAOYSA-N
ID: 25552
SMILES:C12C(C)(Oc3c(c(O)cc(CCCC)c3)C1O)CCC(C(=C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.056
InChIKey:JYAKIWWTLDVJLG-UHFFFAOYSA-N
ID: 25553
SMILES:c1(O)c(CC=C(CCC=C(C)C)C)c2c(c(CC=C(C)C)c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.691
CB1 binding score: Not available
InChIKey:JCEUNYMSWYFWSJ-UHFFFAOYSA-N
ID: 25554
SMILES:c1(CCCC)cc2c(c(O)c1)C1C(CC=C(C)C1)C2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -17.537
InChIKey:SBRLHBBGKAZZPE-UHFFFAOYSA-N
ID: 25555
SMILES:C(C(C=C)CCC1(C)Oc2c(c(O)cc(CCCCC)c2)CC1)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -15.668
InChIKey:FKYZDEGYLZUDJG-UHFFFAOYSA-N
ID: 25556
SMILES:CC(=CCC1C(C)(C)Oc2cc(CCCCC)cc(O)c21)C=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.835
InChIKey:KRCZZDGMBUWXKA-UHFFFAOYSA-N
ID: 25557
SMILES:C12C(O)(c3c(O)cc(CCCC)cc3OC1(C)C)C(=O)C(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -15.21
InChIKey:NHYXCIGHQMCKFP-UHFFFAOYSA-N