ID: 13000
SMILES:C=CCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -18.957
InChIKey:MTBKFELEBUQONK-UHFFFAOYSA-N
ID: 13001
SMILES:C1=C(C)C(=O)CC2C(C)(C)Oc3c(cc(OC)cc3)C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -16.511
InChIKey:LWARKFRLRVLHLF-UHFFFAOYSA-N
ID: 13002
SMILES:C(=C)(C)C1C(c2c(O)cc(CCCCC)cc2)CC(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -14.923
InChIKey:MPJXUXBIESFPLZ-UHFFFAOYSA-N
ID: 13003
SMILES:OC12C(=O)C(C)CCC1C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -17.434
InChIKey:SUIYHRSVQMWRDX-UHFFFAOYSA-N
ID: 13004
SMILES:O1C(C)(CC(C=C(C)C)=O)C=Cc2c(OC)cc(CCCCC)c(C(O)=O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -15.588
InChIKey:DIPFSWBCGVVKTE-UHFFFAOYSA-N
ID: 13005
SMILES:Oc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(O)CCC1C(C)(C)C21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -14.741
InChIKey:STZGBEXCXBEIEJ-UHFFFAOYSA-N
ID: 13006
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2C(O)C(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -19.298
InChIKey:TZGCTXUTNDNTTE-UHFFFAOYSA-N
ID: 13007
SMILES:C1(C)(C(c2cc(O)c(C3C=C(C)CCC3C(C)=C)c(O)c2)O)C(=O)C(C(=O)C(CC)C)=C(O)C(CC=C(C)C)=C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 564.719
CB1 binding score: -12.862
InChIKey:MNJYWMHABSLLGH-UHFFFAOYSA-N
ID: 13008
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(C(C)(C)O2)CCC(C(O)=O)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 13009
SMILES:c1c(O)c2c(cc1C)OC(C)(C)C1C(C=C(C)CC1)CC=C(C)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -11.483
InChIKey:LXPGQKXFMNJKIP-UHFFFAOYSA-N
ID: 13010
SMILES:C1C(C)=CCCC2(C)Oc3c(OC)cc(CCCCCN=C)cc3CC2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 369.549
CB1 binding score: -15.897
InChIKey:AEKGHEZWIATQEN-UHFFFAOYSA-N
ID: 13011
SMILES:c1(O)c2c(c(O)cc1CCCCC)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.943
InChIKey:AQFXVBGXHOAFAM-UHFFFAOYSA-N
ID: 13012
SMILES:C(c1cc2c3c(c1)OC(C)(C)C1C3C(C(C)CC1C)O2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -14.043
InChIKey:KVZBQYJXQLVVTR-UHFFFAOYSA-N
ID: 13013
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(CCC=C(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.791
InChIKey:ORKZJYDOERTGKY-UHFFFAOYSA-N
ID: 13014
SMILES:Oc1c2c(c(C)c(C(C)CCCCCCCCCC)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.685
CB1 binding score: -16.366
InChIKey:CJZVTAFNRFXESA-UHFFFAOYSA-N
ID: 13015
SMILES:c1c(O)c(C)cc2c1C(C)(C)Oc1cc(CCCCC)cc(O)c1C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -15.901
InChIKey:LMOFQIQSBCVLOA-UHFFFAOYSA-N
ID: 13016
SMILES:C(C)(CCC=C(C)C)=CCc1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 13017
SMILES:C1C(C)=CC(c2c(O)cc(CCCCC)cc2)C(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.957
InChIKey:OANGEIYPAQYPQV-UHFFFAOYSA-N
ID: 13018
SMILES:C1(Cc2c(O)c(OC)cc(CCCCC)c2)C=C(C)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -13.582
InChIKey:NQLBBBQXHWRZEA-UHFFFAOYSA-N
ID: 13019
SMILES:Oc1c(C=O)c(CCCCC)cc2c1C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.059
InChIKey:IVRCBDVTRVUPTL-UHFFFAOYSA-N
ID: 13020
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)C=C21)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -16.188
InChIKey:GGHGLGWWSDDCJF-UHFFFAOYSA-N