ID: 38200
SMILES:c1(C2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)c(C(=O)O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -18.276
InChIKey:NGHGOJRQIYPXBS-UHFFFAOYSA-N
ID: 38201
SMILES:C(O)(=O)C(C)=CCc1c(O)c2c(cc1OC)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -17.69
InChIKey:QWHTVFSWHHRDCA-UHFFFAOYSA-N
ID: 38202
SMILES:C12(C)Oc3c(c(O)cc(CCCCC)c3)CC1C(C(C(C)CCC=C(C)C)O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -15.512
InChIKey:PFEICMXCJZUJLR-UHFFFAOYSA-N
ID: 38203
SMILES:C12(CCC(C)=CC1O)C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -14.254
InChIKey:OEUJNYIEXHCRMD-UHFFFAOYSA-N
ID: 38204
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(O)(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 38205
SMILES:C12(C)c3c(O)cc(CCC)cc3OC(C)(C)C1CCC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.98
InChIKey:ULZUENCJAMHEKL-UHFFFAOYSA-N
ID: 38206
SMILES:CCCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 38207
SMILES:CC1(C)CC2C(C)(C2)C2C(C)(Oc3c2c(O)cc(CCCCC)c3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -13.848
InChIKey:WCKPBJDNLPAVBH-UHFFFAOYSA-N
ID: 38208
SMILES:Oc1cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 38209
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(=O)OC(C)(C)C1CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.255
InChIKey:ZFSPZWLPAWKZFB-UHFFFAOYSA-N
ID: 38210
SMILES:C(C=C(CC(O)C1OC1(C)C)C)CC(C)=CCc1c(O)c(C)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -18.386
InChIKey:ANOHSZLIQIJQHD-UHFFFAOYSA-N
ID: 38211
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 38212
SMILES:C1C(c2c(O)cc(CCCCC)cc2O)C(C(CCC=C(C)C)(C)O)OC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.537
CB1 binding score: -15.929
InChIKey:BNOBSKJGSCOROD-UHFFFAOYSA-N
ID: 38213
SMILES:C(OC)(C1C2C(c3c(cc(CCCCC)cc3O)O1)C(C(C)C)CC2)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -13.744
InChIKey:DUAXJRKJNGCCQQ-UHFFFAOYSA-N
ID: 38214
SMILES:O1c2cc(CCCCC)cc(OC3OC(CO)C(O)C(O)C3O)c2C#CC(=C)CCC=C(C)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 486.561
CB1 binding score: -13.941
InChIKey:VUBRIBLBGBCPCZ-UHFFFAOYSA-N
ID: 38215
SMILES:[nH]1c(C2CC(C)(C)Oc3cc(CCCCC)cc(O)c3-2)ccc1C=C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 339.479
CB1 binding score: -14.704
InChIKey:FNYTUMGXTPPBRU-UHFFFAOYSA-N
ID: 38216
SMILES:c1(CCCC)cc(C2C(C(=C)C)CC(O)C(C)=C2)c(O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.074
InChIKey:ABUUXNGQOZAOPQ-UHFFFAOYSA-N
ID: 38217
SMILES:Oc1c2c(c3c(c1)C(C)(O)OC3)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -14.378
InChIKey:MMQYYSSLVDSERN-UHFFFAOYSA-N
ID: 38218
SMILES:C1=C(C)CC(=O)C=C(C)CC(OC(=O)c2c(NC(CCCCCCC)O)c3c(cc(CCCCC)cc3O)O2)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 555.712
CB1 binding score: -16.338
InChIKey:JMHNQPXBJATVME-UHFFFAOYSA-N
ID: 38219
SMILES:c1cc(O)c2c(c1CO)CC1C(C)(CC=CC(=C)C)C3C1C(=O)OC3c1ccc(CCCCC)cc1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 502.651
CB1 binding score: -14.529
InChIKey:XNWQRZWXMROSSO-UHFFFAOYSA-N
ID: 38220
SMILES:C(C)(C)C1=Cc2c(c(C(C)C)cc(O)c2C)C(c2c(O)cc(CCCCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.609
CB1 binding score: Not available
InChIKey:NSXKZUCVYBXXBU-UHFFFAOYSA-N