ID: 62644
SMILES:c12c(O)c(C(=O)O)c(CCCCC)cc1OC(C)(C)C1C2C=C(C(=O)OC)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -18.957
InChIKey:YMEKKVVHAIJDRG-UHFFFAOYSA-N
ID: 62645
SMILES:C(Cc1cc(O)c(CC2C(C)(C)Oc3cc(CCCCC)ccc32)cc1)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.583
CB1 binding score: -15.021
InChIKey:ORVQKEPPPRJRCE-UHFFFAOYSA-N
ID: 62646
SMILES:C1(c2ccc(O)cc2OC)C=C(C)CCC1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.701
InChIKey:QFYIYBNVAPLEFO-UHFFFAOYSA-N
ID: 62647
SMILES:C1(c2c(O)cc(CCCCC)cc2O)OC(C)(C)C2OC(C)(CC1)C1CCC1(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -16.254
InChIKey:HNPGKDRITVTAPO-UHFFFAOYSA-N
ID: 62648
SMILES:CC(O)(C1Oc2cc(C)cc(O)c2C2CC(CO)(C)CCC12C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -13.522
InChIKey:DBBNUGQVFCZDQW-UHFFFAOYSA-N
ID: 62649
SMILES:C(c1ccc(O)c2c1OC(C)(C)C1CCC(C)=CC12)(=O)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -16.714
InChIKey:KDVHOVOFUDBELA-UHFFFAOYSA-N
ID: 62650
SMILES:O=C(c1cc2c(cc1)OC(C)(C)C1CCC(C)=CC12)NC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.441
CB1 binding score: -12.281
InChIKey:ORDWIHKXTQWEQN-UHFFFAOYSA-N
ID: 62651
SMILES:c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.316
CB1 binding score: -16.751
InChIKey:OZAQLJVEQBIYHU-UHFFFAOYSA-N
ID: 62652
SMILES:C1Oc2c(c(O)cc(CCCCC)c2)C2=CC(C)(C)CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -16.408
InChIKey:QECFKTZAWVFPSI-UHFFFAOYSA-N
ID: 62653
SMILES:C(OC(c1ccc2c(c1C)OC(C)(C)C1CCC(C(O)=O)=CC21)=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.407
CB1 binding score: -13.821
InChIKey:NBWMSLYWRBSKGM-UHFFFAOYSA-N
ID: 62654
SMILES:CCCC(C(c1c(O)cc(O)c2c1OC(C)(C)C1C2CC(C)CC1)O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -13.322
InChIKey:IJTBBBGYGQYNST-UHFFFAOYSA-N
ID: 62655
SMILES:O=C(C1(C)Oc2c(c(O)cc(CCCCC)c2)C2CCC(O)(C)C(Cl)C12)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.911
CB1 binding score: -14.293
InChIKey:GCSOGSXELOJQFW-UHFFFAOYSA-N
ID: 62656
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 62657
SMILES:C12C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C1C(C)(O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.762
InChIKey:ICMJYQRNULRNTK-UHFFFAOYSA-N
ID: 62658
SMILES:C1C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C(C(=CC)C=O)C(OC)C1(O)CCC=CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 510.715
CB1 binding score: -14.705
InChIKey:AGRIHIRKXFHDNQ-UHFFFAOYSA-N
ID: 62659
SMILES:c1c(-c2c(O)cc(CCCCC)cc2O)c(O)cc2c1OC(C)(C)C1C2CC(C)(O)C(O)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: Not available
InChIKey:YJFAIHXMDZYWPE-UHFFFAOYSA-N
ID: 62660
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -19.67
InChIKey:QXOBJECFIJLBPW-UHFFFAOYSA-N
ID: 62661
SMILES:c1cc2c(c(Cl)c1C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.807
CB1 binding score: -16.155
InChIKey:RRCLJDIYABOCQS-UHFFFAOYSA-N
ID: 62662
SMILES:C12(C)Oc3cc(OC)c(CC=C(CCC(C(O)(C)C)O)COC(=O)C)cc3C(=O)C1C1C(C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 516.631
CB1 binding score: -17.204
InChIKey:IAJANCADDNUBQO-UHFFFAOYSA-N
ID: 62663
SMILES:CC1(C)C=Cc2c(cc(CCC(CC)O)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -15.925
InChIKey:ARARFTSFGZMHJD-UHFFFAOYSA-N
ID: 62664
SMILES:C(Cc1c(O)cc(CCCCC)cc1O)=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N