ID: 104686
SMILES:c12c(OC)cc(O)cc1C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.863
InChIKey:WHDAFDHUJCLHDY-UHFFFAOYSA-N
ID: 104687
SMILES:c1(CCc2cc(C(O)=O)ccc2O)cc(OC)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.521
CB1 binding score: -17.602
InChIKey:BXXJKALMTZAKRT-UHFFFAOYSA-N
ID: 104688
SMILES:COc1c(O)c(O)ccc1C1=CC(CCC=C(C)C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.591
CB1 binding score: -16.23
InChIKey:LXIBNCHQHSYWRQ-UHFFFAOYSA-N
ID: 104689
SMILES:C(N)c1cc(O)c(C2C=C(CO)CCC2C(C)=C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 273.376
CB1 binding score: -15.922
InChIKey:ZDGUJALKVMWEJW-UHFFFAOYSA-N
ID: 104690
SMILES:CC1=C(C)C(C(C)=CCCC(C)=CC2c3c(O)cc(CCCCC)cc3OC2=O)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.592
CB1 binding score: -13.394
InChIKey:JOWOHTVPJFFTCH-UHFFFAOYSA-N
ID: 104691
SMILES:C1(C)=CC(c2cc(CCCCC)cc(O)c2O)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.334
InChIKey:VEBHZTTZGZYZIW-UHFFFAOYSA-N
ID: 104692
SMILES:c1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.801
InChIKey:MISWBPJELUDMFI-UHFFFAOYSA-N
ID: 104693
SMILES:C1(C)(O)CCC2C1c1c(cc(C)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -18.334
InChIKey:IFGUCKOSTCKUDI-UHFFFAOYSA-N
ID: 104694
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 104695
SMILES:O1c2cc(CCCCC)cc(O)c2CC1C(=C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -18.846
InChIKey:NBVPTAKVRPHONU-UHFFFAOYSA-N
ID: 104696
SMILES:c1c(O)c(C2C=C(C)CCC2C(=C)C)c(O)c(CCC(C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.702
InChIKey:CXEZNMDYGHSIEY-UHFFFAOYSA-N
ID: 104697
SMILES:C1(O)(C)C23c4c(O)cc(CCC)cc4OC(C)(C)C2CC1(O)C(=O)C(C(=O)CC(C)C)=C3O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Polyprenylated cyclic polyketides (Hop meroterpenoids)
MW: 458.551
CB1 binding score: -13.817
InChIKey:UPFSYOPEFZMVJQ-UHFFFAOYSA-N
ID: 104698
SMILES:C(=CCc1c(OC)cc(CCCCC)cc1O)=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -15.742
InChIKey:UHOGUEHKLQJUTR-UHFFFAOYSA-N
ID: 104699
SMILES:c1c(C(CC)=O)c2c(c(O)c1)C1CC(C)C(=O)CC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -16.217
InChIKey:CDGIRLWBKHDSQF-UHFFFAOYSA-N
ID: 104700
SMILES:O1C2C(COC(=O)C)(C(OC(CC(C)C)=O)CC(C)=CC(OC(=O)C)C1(C)C)c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 574.711
CB1 binding score: -15.636
InChIKey:BDOWBFDZBGSPSR-UHFFFAOYSA-N
ID: 104701
SMILES:OC1(C(C)C2=CC=C(C)C(=O)C2)CC2c3c(O)cc(CCCCC)cc3OC2(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -15.405
InChIKey:PIQPYCLSKLJIGM-UHFFFAOYSA-N
ID: 104702
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 104703
SMILES:C1(C(CC)=O)C(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -14.75
InChIKey:MCPRQVVYZMMMJF-UHFFFAOYSA-N
ID: 104704
SMILES:C(C)(=CCCC(C)=CCc1c(O)cc(CCCCC)cc1OC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.49
InChIKey:KASVLYINZPAMNS-UHFFFAOYSA-N
ID: 104705
SMILES:C1(C)=CC(c2c(O)cc(CCC)cc2OC)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.854
InChIKey:OZYYEDPTJXVZJQ-UHFFFAOYSA-N
ID: 104706
SMILES:C(=CC=C(CCC=C(C)C)C)C(=CCc1c(O)cc(CCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -16.015
InChIKey:YXPQLDCTLWJNQW-UHFFFAOYSA-N