ID: 27406
SMILES:C1(C)C2(Oc3c(c(O)cc(CCCCC)c3)C2O)C2(C(CCC(C)=O)C2)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -14.153
InChIKey:PRSZYXQAFXIVLR-UHFFFAOYSA-N
ID: 27407
SMILES:C(=C(C)CCC=C(C)C)CC(Oc1cc(OC)cc(CC)c1)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.3
InChIKey:HPCGLFMGUQXVJP-UHFFFAOYSA-N
ID: 27408
SMILES:c1(C)cc(O)c(C2(CO)OC(C)(CO)CCC2)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.336
CB1 binding score: -15.955
InChIKey:DHRYBIIYZWVTOS-UHFFFAOYSA-N
ID: 27409
SMILES:C(CC=C(C)C)C1(C)C(C)CC=C2c3c(O)cc(C)cc3OC21C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -14.54
InChIKey:XEMJFNSXBKEAJN-UHFFFAOYSA-N
ID: 27410
SMILES:C(C1C(C)(C)Oc2cc(CCCCC)cc(O)c21)C=C(C)CCC=C(C)Cc1c2c(cc(C)c(OC)c2)ccc1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 582.869
CB1 binding score: -15.586
InChIKey:BQTAIINWEGNAQB-UHFFFAOYSA-N
ID: 27411
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 27412
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)C=C1)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.818
InChIKey:PTEODOJWEKNIQV-UHFFFAOYSA-N
ID: 27413
SMILES:CC1(C)Oc2c(cc(CCCC)cc2)C2C1CCC2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.432
CB1 binding score: -15.788
InChIKey:YNJQLUZXPXTUIY-UHFFFAOYSA-N
ID: 27414
SMILES:Oc1c(CC=C(C)CCC=C(C)C)cc(CCCC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 286.459
CB1 binding score: -18.208
InChIKey:PSMHNXSQELAMNN-UHFFFAOYSA-N
ID: 27415
SMILES:C(CC=C(C)CCC=C(C)C)C(=CCc1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 384.604
CB1 binding score: -20.123
InChIKey:WYEFRBILENQYOH-UHFFFAOYSA-N
ID: 27416
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 27417
SMILES:Oc1cc2c(cc1C)C1C=C(C)CCC1C(CC=CC(C)(C)O)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.22
InChIKey:SKNGAFOWVOYCCW-UHFFFAOYSA-N
ID: 27418
SMILES:O=C(O)C1=CC2c3c(O)cc(C)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -17.944
InChIKey:GITSDXGASNCATJ-UHFFFAOYSA-N
ID: 27419
SMILES:C(C1=CC2C(C(C)(C)Oc3c2c(ccc3)C(=O)OC)CC1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -14.717
InChIKey:XXYZYCRZOIEKGG-UHFFFAOYSA-N
ID: 27420
SMILES:CC12Oc3c(c(O)cc(CCCCC)c3)C3CC(C)(O)CCC3C1CC(O)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -17.263
InChIKey:YNOBPXNWXBZNHZ-UHFFFAOYSA-N
ID: 27421
SMILES:C(CCc1cc(O)c2c(c1O)C1C(C(C)(C)O2)CCC(C)=C1)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: Not available
InChIKey:SZXQLYJAWCSHHQ-UHFFFAOYSA-N
ID: 27422
SMILES:C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 27423
SMILES:C1(O)C2C(C)(CCC(O)C2(C)C)Oc2c(c(O)cc(CCCCCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.537
CB1 binding score: -11.275
InChIKey:DFKYZWHYBMHLRU-UHFFFAOYSA-N
ID: 27424
SMILES:CCCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 27425
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 27426
SMILES:C1(C)(C)C2C(C(C)(C)Oc3c2ccc(O)c3)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -16.308
InChIKey:PLGHMUQCDPLFED-UHFFFAOYSA-N