ID: 104938
SMILES:CC1CCC(C(C)(C)OC(C)=O)C2c3c(O)cc(CCC)cc3OC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.438
InChIKey:ARTFNURBWKDHGT-UHFFFAOYSA-N
ID: 104939
SMILES:c1(OC)cc(OC)c2c(c1)OC(C)(C)C1C(C2)C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -16.479
InChIKey:YZYNXACBBOPFMM-UHFFFAOYSA-N
ID: 104940
SMILES:C(=O)(OC1C(C(C)=C)C(c2c(OC(=O)C)cc(CCCCC)cc2OC)CC(C)=C1)C(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.551
CB1 binding score: -14.079
InChIKey:XZVIRHPVHHVUDN-UHFFFAOYSA-N
ID: 104941
SMILES:C=C(C)C1CC(C)=CC(c2c(O)cc(CCCCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.078
InChIKey:CQTGMKIAHWSXLV-UHFFFAOYSA-N
ID: 104942
SMILES:C(Oc1cc(C)c(O)cc1-c1cc(O)c2c(c1)OC(C)(C)C(O)C1OC2C(C)(O)CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.524
CB1 binding score: -13.346
InChIKey:GPKOMBBAIADRLD-UHFFFAOYSA-N
ID: 104943
SMILES:CC(C1Oc2cc(CCCCC)cc(O)c2C2CC(C)=CCC12C(=C)C(CC=C(C)CCC=C(C)C(=O)O)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 548.764
CB1 binding score: -13.842
InChIKey:QRUPSTXWZUSCKB-UHFFFAOYSA-N
ID: 104944
SMILES:c12ccc(CCCCC)cc1OC1(C2)C(C)(C)CC=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -16.754
InChIKey:SJEWNDACYKLFRO-UHFFFAOYSA-N
ID: 104945
SMILES:c1c(C)c(O)cc2c1-c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -18.225
InChIKey:XUERFRQVGLONMR-UHFFFAOYSA-N
ID: 104946
SMILES:CC1CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 104947
SMILES:C(O)(=O)NCCOc1c(CC=C(C)C)c(OC)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 349.471
CB1 binding score: -14.812
InChIKey:PONZHZFGICCMEG-UHFFFAOYSA-N
ID: 104948
SMILES:C(C)C(OC1CC2(C(C)(C)Oc3cc(C)c(Br)cc31)CC=C(C)CC2)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 421.375
CB1 binding score: -13.527
InChIKey:XDAWGYVHEPMNGD-UHFFFAOYSA-N
ID: 104949
SMILES:Oc1cc(CCCC)cc2c1C1CC(C(=C)C)CCC1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.502
InChIKey:RPOWHHWWHKGINO-UHFFFAOYSA-N
ID: 104950
SMILES:c1(C2CC(C)C(=O)CC2)c(O)cc(CCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -16.052
InChIKey:XYXAADBMQMHRMN-UHFFFAOYSA-N
ID: 104951
SMILES:c1(O)c(C2C=C(C)CCC2C(C)=C)cc(CCC(O)=O)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -13.72
InChIKey:ZDBPPNRFHIICPW-UHFFFAOYSA-N
ID: 104952
SMILES:C1(=O)C(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.026
InChIKey:FJVJQPVMJALOMF-UHFFFAOYSA-N
ID: 104953
SMILES:C1c2cc(=O)c(C)c(CCCCCC)cc2OC(C(C)(O)C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.655
InChIKey:ZZJHKPZYXWMZLW-UHFFFAOYSA-N
ID: 104954
SMILES:C1(C)CC2(C(C(C)=C)Oc3cc(CCCCC)cc(O)c32)CC1C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -16.587
InChIKey:SORUBYWXDKCYPE-UHFFFAOYSA-N
ID: 104955
SMILES:Oc1c(CC(=O)O)cc2c(c1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.369
CB1 binding score: -16.81
InChIKey:ZINDYYMZWHHWKJ-UHFFFAOYSA-N
ID: 104956
SMILES:CCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(CC=C(C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.535
CB1 binding score: -16.283
InChIKey:STRRSRNQMOREPR-UHFFFAOYSA-N
ID: 104957
SMILES:C1=C(C)CC(O)(c2c(O)cc(CCC)cc2O)CC1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -13.845
InChIKey:PJXBCYQUQJUYJG-UHFFFAOYSA-N
ID: 104958
SMILES:C1(=O)c2c(O)cc(CCCCC)cc2OC12C(O)(C)CCC2C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.016
InChIKey:XEFUTYFATKDTIB-UHFFFAOYSA-N