ID: 14596
SMILES:c1(OC)c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.06
InChIKey:KSDSETBZUIJIFF-UHFFFAOYSA-N
ID: 14597
SMILES:C(C)(C1C=CC(C)(C)Oc2c1cc(CCCCC)cc2O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -12.315
InChIKey:NVIGMRRVOZIEAP-UHFFFAOYSA-N
ID: 14598
SMILES:C1=CCC(C)(C)C(CCC2(C)Oc3c(c(O)cc(CCCCCC)c3)CC2C(C)=C)C1=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.68
CB1 binding score: -16.839
InChIKey:CGFRMYZCNXDEBB-UHFFFAOYSA-N
ID: 14599
SMILES:c1c(O)c(CC=C(C)C)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -15.712
InChIKey:MBQCVNQREXBGBQ-UHFFFAOYSA-N
ID: 14600
SMILES:c1c2c(cc(CCCCC)c1)C=CC(C)(CCC=C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -16.987
InChIKey:RMWYCANPNUTKIT-UHFFFAOYSA-N
ID: 14601
SMILES:c1cc(OC)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.829
InChIKey:FPBTVEQKCBCFLI-UHFFFAOYSA-N
ID: 14602
SMILES:CC(=O)OCC12CC(O)C(=C)CC1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -12.626
InChIKey:WZYZCNUPAYCZGG-UHFFFAOYSA-N
ID: 14603
SMILES:O(c1cc(C)c(OCCc2c(C)cc3c(c2)CCC(C)(C)O3)cc1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -13.476
InChIKey:IBXPBXZUOFPUPD-UHFFFAOYSA-N
ID: 14604
SMILES:c1(C)c(CC(=O)c2oc(CCCCC)cc2)c2c(c(O)c1)C1C(CCC(COC(c3ccccc3)=O)=C1)(C)C(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 554.727
CB1 binding score: -15.145
InChIKey:DQWZZCLNOURTFZ-UHFFFAOYSA-N
ID: 14605
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 14606
SMILES:O=C1C(C)(C(O)CO)C2C(C)(CC1)Oc1cc(CCCCC)cc(O)c1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -11.46
InChIKey:IPOTXJBCECRJGU-UHFFFAOYSA-N
ID: 14607
SMILES:C(CC)CCCc1cc(OC)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -17.422
InChIKey:LABMCTIAZNCACZ-UHFFFAOYSA-N
ID: 14608
SMILES:C1(C)=CCC2C(C1)c1c(c3c(O)cc(CCCCC)cc3O1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.647
CB1 binding score: -14.892
InChIKey:LSBLCWJJYWOSIE-UHFFFAOYSA-N
ID: 14609
SMILES:C1C(C(C)C)C(c2cc(CCCCC)ccc2)C=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 284.487
CB1 binding score: -16.438
InChIKey:FZKDNZVILILJLN-UHFFFAOYSA-N
ID: 14610
SMILES:c1(C)coc2c1c(=O)c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -16.224
InChIKey:YYBKRVCLTMANGM-UHFFFAOYSA-N
ID: 14611
SMILES:c12c(cc(CCCCC)cc1)OC(C)(C)C1=C2C(=O)C(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -16.364
InChIKey:OQZFRCYFVTVPDM-UHFFFAOYSA-N
ID: 14612
SMILES:C(C)(O)(C1=CCC(O)(C)CC1c1c(O)cc(CCCCC)cc1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.008
InChIKey:UJPHBYBBQXXWMQ-UHFFFAOYSA-N
ID: 14613
SMILES:C(C)(CCCc1cc2c(c(CO)c1OC)OC(C)(C)C2O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 308.418
CB1 binding score: -14.85
InChIKey:GYWHZPVEPFSTSY-UHFFFAOYSA-N
ID: 14614
SMILES:C1=C(C)CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 14615
SMILES:C1C2(CC=C(C)C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.228
InChIKey:XQYSGOVDVJLJAU-UHFFFAOYSA-N
ID: 14616
SMILES:C(C(C)C)Cc1c2c(c(OC)c(C=O)c1OC)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Phloroglucinols
Class: Cannabinoids;Phloroglucinol-terpene hybrids
MW: 386.532
CB1 binding score: -17.334
InChIKey:WSFVYXHNWXKBMQ-UHFFFAOYSA-N