ID: 45487
SMILES:C(CCc1cc(O)c(CC=C(C)CCC=C(C)C)c(OC)c1)(=O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 332.44
CB1 binding score: -16.86
InChIKey:BHKRHVQBBSPKHV-UHFFFAOYSA-N
ID: 45488
SMILES:C1CC(C)(C)Oc2c(c(O)cc(CC(O)CC)c2C(=O)CC(C)C)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -14.725
InChIKey:RBHLUTYJJPVJAG-UHFFFAOYSA-N
ID: 45489
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(COC(C)=O)=CC21)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.38
CB1 binding score: -14.771
InChIKey:NBXWPHJBHPPLHQ-UHFFFAOYSA-N
ID: 45490
SMILES:c1(O)c2c(cc(C(C(CCC)=O)C)c1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.863
InChIKey:GNWZMOPQFPOTRU-UHFFFAOYSA-N
ID: 45491
SMILES:c1(O)c2c(c(O)c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -17.407
InChIKey:MEBXQXVNQKNBGL-UHFFFAOYSA-N
ID: 45492
SMILES:C(O)C1=CC2c3c(O)cc(CCCCC)cc3OC(CCC=C(CCC=C(C)C)C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.706
CB1 binding score: -13.227
InChIKey:CSUBBRRZRMWSII-UHFFFAOYSA-N
ID: 45493
SMILES:C(CCC=C(CO)C)(C)=CCc1c(O)c(C(=O)O)c(CCCCCO)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.492
CB1 binding score: -15.025
InChIKey:FXNVCHRRTBUJIJ-UHFFFAOYSA-N
ID: 45494
SMILES:C(O)C1(C)CC2C(C)(Oc3c(c(O)cc(CCC)c3)C2CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -14.244
InChIKey:YDUKHGMHIUJFMC-UHFFFAOYSA-N
ID: 45495
SMILES:Oc1c2c(cc(C(=O)OC)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -16.499
InChIKey:HLTLUPAQLMIBCZ-UHFFFAOYSA-N
ID: 45496
SMILES:C1(C)=CCCC(=C)C2C(CC1)C(C)(C)Oc1cc(O)cc(C)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.714
InChIKey:YVVIDAJLRQDRJO-UHFFFAOYSA-N
ID: 45497
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)c1c-2cc(C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -18.225
InChIKey:XUERFRQVGLONMR-UHFFFAOYSA-N
ID: 45498
SMILES:c1(CCCCCC)cc(O)c(CC=C(CCC=C(C)C)C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 314.513
CB1 binding score: -17.334
InChIKey:LEDFMVBKTGJRMR-UHFFFAOYSA-N
ID: 45499
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -19.729
InChIKey:GIIVGKMZIUKMMN-UHFFFAOYSA-N
ID: 45500
SMILES:C(CCCc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 45501
SMILES:C1C(CCC=C(C)C)(C)C(O)(c2cc(OC)cc(CCCCC)c2)Oc2cc(O)cc(C)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -15.445
InChIKey:ALWRRVCYHRCDLQ-UHFFFAOYSA-N
ID: 45502
SMILES:O(C)C(C)(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -16.145
InChIKey:AAKMUXZVEJTIOR-UHFFFAOYSA-N
ID: 45503
SMILES:C1C(C)C2=C(c3c(cc(CCCC)cc3O)O1)C(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.185
InChIKey:VZCPNYFGPZBLMS-UHFFFAOYSA-N
ID: 45504
SMILES:CC(C)=CCc1nc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.441
CB1 binding score: -15.05
InChIKey:SVXHHXLXKMFZHL-UHFFFAOYSA-N
ID: 45505
SMILES:C(C(C)C1c2c(CCCCC)cc(O)c(C)c2OC1(C)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -13.647
InChIKey:LBIBJVVTOGJEHX-UHFFFAOYSA-N
ID: 45506
SMILES:c1(CCC)cc2c(c(O)c1)C1C(O)C(O)(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.429
CB1 binding score: -16.876
InChIKey:CHIRVZOHIIHHTF-UHFFFAOYSA-N
ID: 45507
SMILES:c1(CC(=C)C2CC=C(C)CC2)cc(O)cc(CC=C(C)C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -14.348
InChIKey:SLPTXQQKTZSGRQ-UHFFFAOYSA-N