ID: 49456
SMILES:C1(C)(C)C2CCC(C)=CC2c2c(O)ccc(CCC(=O)OCC)c2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: Not available
InChIKey:JIENUOVODSPMIB-UHFFFAOYSA-N
ID: 49457
SMILES:CC1(C)CCCC(C)=C1C=CC1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -15.922
InChIKey:MVAATHGLXLXXEL-UHFFFAOYSA-N
ID: 49458
SMILES:C1CC2C(C1(CC(OC(=O)CC(C)C)C)C)c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -14.645
InChIKey:KPJQEWJGSNDDNR-UHFFFAOYSA-N
ID: 49459
SMILES:C(C)(=CCCC1(C)Oc2c(c(O)cc(C(C)C(=O)C(CC)C)c2O)C=C1)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -18.181
InChIKey:VQBYLBOBIXYFLY-UHFFFAOYSA-N
ID: 49460
SMILES:C1C(C)C(=O)CC2C(C)(C)Oc3c(c(OC)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.345
InChIKey:KNIDSOBAZANXHO-UHFFFAOYSA-N
ID: 49461
SMILES:C1(O)(CC=O)C(C)=CC(c2c(C)cc(O)cc2O)C(C(C)=C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -16.73
InChIKey:UWDOJPHKFJDBHO-UHFFFAOYSA-N
ID: 49462
SMILES:C(C)(C1C(c2cc(CNCC)ccc2O)C=C(C)C(CC=C(C)C)O1)C1CCC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 437.668
CB1 binding score: -15.619
InChIKey:AGKATNCDKXQPDH-UHFFFAOYSA-N
ID: 49463
SMILES:C(CCCC)c1cc(O)c(CC2C(=C)CCC3C2(C)CCCC(C)(C)C3)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.631
CB1 binding score: -15.526
InChIKey:TYSGTSBNGUHPJC-UHFFFAOYSA-N
ID: 49464
SMILES:CC1=CCC(C(=C)C)C(OOc2cc(CCCCC)cc(O)c2)CC1(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: Not available
InChIKey:VIDRGYCKMNNWMQ-UHFFFAOYSA-N
ID: 49465
SMILES:c1(C(O)C)cc(O)c(C2C(C(CO)=C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -15.034
InChIKey:QWOBFAWKAXEEBU-UHFFFAOYSA-N
ID: 49466
SMILES:C(=C(C)C)Cc1c(O)c2c(cc1C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.913
InChIKey:SSXGVPSEIMSGLQ-UHFFFAOYSA-N
ID: 49467
SMILES:c12c(c(CCC(=O)C(C)=C)c(O)cc1C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -11.136
InChIKey:VVKDTXZJIGNOND-UHFFFAOYSA-N
ID: 49468
SMILES:C1CC(c2c(O)cc(CCCCC)cc2)CCC1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.459
CB1 binding score: -16.033
InChIKey:SZGQFRISIJGCPP-UHFFFAOYSA-N
ID: 49469
SMILES:C(O)(C1=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 49470
SMILES:C12C(C)(C)Oc3c(c(O)c(-c4ccccc4)c(O)c3C)CC1(C)C(C)=CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.485
CB1 binding score: -13.009
InChIKey:XVQILQGZJPBQAX-UHFFFAOYSA-N
ID: 49471
SMILES:C1(C)(C)Oc2cc(CCCCC)c(OC)cc2C2C1CC(OC(=O)C)C(=C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.929
InChIKey:IAHWVIATRLDRIA-UHFFFAOYSA-N
ID: 49472
SMILES:CC1(O)CC2Cc3c(cc(CCCCC)cc3O)OC2CC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -13.407
InChIKey:JTSXDCFUBRYCPP-UHFFFAOYSA-N
ID: 49473
SMILES:O1C2C=C(C)CC3c4c(O)cc(CCC)cc4OC13C(C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -12.703
InChIKey:RTMCHKVMWFGZAD-UHFFFAOYSA-N
ID: 49474
SMILES:CC1C(=O)C(=CC(C)C)c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -11.817
InChIKey:GWMBTZGFZXYALH-UHFFFAOYSA-N
ID: 49475
SMILES:C1C2C(C(C(C)C)CC1)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -16.377
InChIKey:MFQYBQUFPUMFJI-UHFFFAOYSA-N
ID: 49476
SMILES:O(C)c1cc(C)c2c(c1)C=CC(C)(CC1C=C(C)CCC1C(=CCC1C(C)(C)O1)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.609
CB1 binding score: -16.398
InChIKey:CYRMZYSMBWYDBA-UHFFFAOYSA-N