ID: 47692
SMILES:c1c(CC(C)(C)O)c(O)c(C(O)=CC(CC)C)c(O)c1C1C=C(C)C(O)CC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -13.733
InChIKey:NRXDPKUHTVVYAU-UHFFFAOYSA-N
ID: 47693
SMILES:C1c2c(O)cc(CCCCC)cc2OC(C)(C)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -19.729
InChIKey:GIIVGKMZIUKMMN-UHFFFAOYSA-N
ID: 47694
SMILES:C1(C)(C=C)C=C2c3c(cc(CCCCC)cc3OC(C)=O)OC2(C)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.474
CB1 binding score: -14.082
InChIKey:WEZQFYGWDPJNBD-UHFFFAOYSA-N
ID: 47695
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1=C2C(=O)C(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -18.083
InChIKey:AYMRREFEEFYHLH-UHFFFAOYSA-N
ID: 47696
SMILES:C1C=C(C)CCC2C(C)(C)Oc3ccc(O)cc3C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.01
InChIKey:MMHWWLXBHPPCDZ-UHFFFAOYSA-N
ID: 47697
SMILES:C1(C)(CCC=C(C)C)Oc2c(c(O)cc(CCCCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.758
InChIKey:BBSLEQVLKFGGIE-UHFFFAOYSA-N
ID: 47698
SMILES:c1(O)cc2c(cc(CCCCC)cc2O)OC1CCC=C(C)CCC1(C(C)=C)C(C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.679
CB1 binding score: -17.515
InChIKey:ZBCUOBCVGAHVRQ-UHFFFAOYSA-N
ID: 47699
SMILES:C1=C(C)CCC(C(C)C)C1c1c(O)cc(CCCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -18.488
InChIKey:DRBOYSNODSSITK-UHFFFAOYSA-N
ID: 47700
SMILES:Oc1cc2c(c(C)c1)OC(CCC=C(C)C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.628
InChIKey:JYPPDVTUHDOURQ-UHFFFAOYSA-N
ID: 47701
SMILES:Cc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 47702
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(=C)C)cc1C1C=C(CCC=C(C)C)C(OC)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.717
CB1 binding score: -15.12
InChIKey:NKTKGECSSNBRNM-UHFFFAOYSA-N
ID: 47703
SMILES:C1(C)(C)CCCC(=CCOc2c3c(cc(C(C)C)c2)OC(C)(C)C=C3)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -13.216
InChIKey:NMFXSLKMZUYQMA-UHFFFAOYSA-N
ID: 47704
SMILES:CC1(C)Oc2cc(O)c(C(OC)=O)c(O)c2C2C1CCC(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.369
CB1 binding score: -18.067
InChIKey:OZGZWGBHXPFAHB-UHFFFAOYSA-N
ID: 47705
SMILES:CC1=CC(O)CC2(CO)CC1c1c(cc(C)cc1O)OC2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.358
CB1 binding score: -13.016
InChIKey:ZFXFCEDTOOGHSV-UHFFFAOYSA-N
ID: 47706
SMILES:CC1(C)Oc2c(cccc2)C2(C1)C(C)C1C(C(=O)C1C)C(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -16.591
InChIKey:YBPPGHFPVLTRJA-UHFFFAOYSA-N
ID: 47707
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C(=O)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -18.334
InChIKey:HJLDQSFDBVFHQA-UHFFFAOYSA-N
ID: 47708
SMILES:C(c1cc(CC=C)c2c(c1O)OC(C)(C)C1CCC(C)=CC21)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -15.396
InChIKey:LQIKZHOATAPGCN-UHFFFAOYSA-N
ID: 47709
SMILES:CC(=CCc1c(O)cc(CCCCC)c(C#CC(=C)C)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 296.454
CB1 binding score: -16.454
InChIKey:JGIKGACXEGATFG-UHFFFAOYSA-N
ID: 47710
SMILES:C(=O)(C)OCC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C(OC(=O)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.541
CB1 binding score: -16.418
InChIKey:FIIWOLVDOOHTFL-UHFFFAOYSA-N
ID: 47711
SMILES:C1C(C)(C)C2C(C)(CC1)Oc1c(c(O)cc(CCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 288.431
CB1 binding score: -18.4
InChIKey:IYJFZOBKCYBWAD-UHFFFAOYSA-N
ID: 47712
SMILES:C1CC2C(C)(C)Oc3c(c(OC)cc(CCc4ccccc4)c3OC)C2C=C1C
Pathway: Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Stilbenoids
Class: Cannabinoids;Monomeric stilbenes
MW: 392.539
CB1 binding score: -13.63
InChIKey:MMMBECRXSRULGI-UHFFFAOYSA-N