ID: 50443
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(CCC1=CC(=C)OC1=O)(C)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -14.199
InChIKey:GBBCVSRLFAWYJI-UHFFFAOYSA-N
ID: 50444
SMILES:c1(O)cc(C=O)c2c(c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -17.427
InChIKey:WYYXYCMRLVIEJD-UHFFFAOYSA-N
ID: 50445
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C=CC(C)(O)CCCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.677
InChIKey:HYCGUDCAXPJTSJ-UHFFFAOYSA-N
ID: 50446
SMILES:C(O)(=O)CCc1cc2c(cc1C)OC(C)(C)C1C2CC(=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -11.83
InChIKey:SRYALLJYEBJEFL-UHFFFAOYSA-N
ID: 50447
SMILES:C(CC(OC)=O)C(Oc1c(CCCCC)cc2c(c1O)C1C(CCC(CO)=C1)C(C)(C)O2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.567
CB1 binding score: -15.288
InChIKey:JWYJRPPZPHDORV-UHFFFAOYSA-N
ID: 50448
SMILES:C1C(O)(C)C2Oc3c(c(O)cc(CCCCC)c3)C2(O)C(C(C)C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.519
InChIKey:VZUUWFJFOAIVEZ-UHFFFAOYSA-N
ID: 50449
SMILES:C1=CC2CC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -16.303
InChIKey:CJIGDIPWKBMXSI-UHFFFAOYSA-N
ID: 50450
SMILES:C1(Br)C(O)(C)CCC(C(C)=C)C1c1c(O)cc(CCC(CC)O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 411.38
CB1 binding score: -16.51
InChIKey:HBZVAPJNFZSGNT-UHFFFAOYSA-N
ID: 50451
SMILES:c12c(cc(CCCC)cc1)OC(C)(C)C(O)CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.42
CB1 binding score: -15.261
InChIKey:DINNMKFIKNXSFM-UHFFFAOYSA-N
ID: 50452
SMILES:c1(O)c2c(c3cccc(O)c3c1OC)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.419
CB1 binding score: -15.665
InChIKey:LPMZZJVHNPDCIB-UHFFFAOYSA-N
ID: 50453
SMILES:O1C2=C(CC3C1=C(C(C)CCC=C(C)C)COC3=O)C(COC)C=CC2C(NC)Cc1ccccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 491.672
CB1 binding score: -15.404
InChIKey:MFKJWRLXCCASJH-UHFFFAOYSA-N
ID: 50454
SMILES:O1c2cc(CCCCC)cc(O)c2C2C(C(O)(C)C)CCC1(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -16.041
InChIKey:IGTYCMHCIOXXCY-UHFFFAOYSA-N
ID: 50455
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)C23CC(C)(C)C2C1C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -16.177
InChIKey:UBXUJYAHUAMXEK-UHFFFAOYSA-N
ID: 50456
SMILES:C1OC12CC1c3c(cc(CCCCC)cc3O)OC(C)(C)C1CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.269
InChIKey:OFPHOYSTDHRUKN-UHFFFAOYSA-N
ID: 50457
SMILES:C1CC(C)(C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -19.22
InChIKey:AHKIGVNVQSVNEP-UHFFFAOYSA-N
ID: 50458
SMILES:C(CC)CCc1cc2c(c(O)c1)C1C(C(=C)C)CCC(C)(O)C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.142
InChIKey:RBEAVAMWZAJWOI-UHFFFAOYSA-N
ID: 50459
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C(C(C=CC(C)(C)OC(=O)C)O)(C)CCCC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -15.734
InChIKey:KFNRXZVNPGIVSO-UHFFFAOYSA-N
ID: 50460
SMILES:C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1C=CC(C)(O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.25
InChIKey:PGZISGZFEFJPOZ-UHFFFAOYSA-N
ID: 50461
SMILES:C1Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 192.258
CB1 binding score: -17.99
InChIKey:CBNHBFQWUZBCDS-UHFFFAOYSA-N
ID: 50462
SMILES:C(C=C(C)C)CC(C)=CCc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 50463
SMILES:C1C(C)C2C(c3c(O)cc(CCCCC)cc3O2)C(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.825
InChIKey:ZOQOWBOVOPMLPU-UHFFFAOYSA-N