ID: 49708
SMILES:c1c(O)cc(CC)c2c1OC(C)(CCC=C(C)C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -16.986
InChIKey:SZTNDVBFBYAAJX-UHFFFAOYSA-N
ID: 49709
SMILES:Oc1c2c(cc(C)c1)OC(CCc1ccccc1)(C)CC2OC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -14.788
InChIKey:DWMQUCPTVKKVRU-UHFFFAOYSA-N
ID: 49710
SMILES:C(=C(C)C)CC1C(C)(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.341
InChIKey:NVALWUGIBRTVBR-UHFFFAOYSA-N
ID: 49711
SMILES:C(CCCC=C)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -17.364
InChIKey:GGQPOSCJAWXHFW-UHFFFAOYSA-N
ID: 49712
SMILES:C1CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C2CC1(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -12.137
InChIKey:KOIJZAGDZNEHMV-UHFFFAOYSA-N
ID: 49713
SMILES:C12C(C)(c3c(c(O)c(CCCCC)cc3O)O1)CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.642
InChIKey:QYAMELGZKYXEHM-UHFFFAOYSA-N
ID: 49714
SMILES:C12CC(C(C)C)c3c(O)c(C(=O)O)c(CCCCC)cc3OC1(C)CCC(C(=C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -15.09
InChIKey:WDTXBSLXWZXNCQ-UHFFFAOYSA-N
ID: 49715
SMILES:CC12Oc3c(c(O)cc(CCCC)c3)C3C1(C(O)CC(C)(O)C(OC(=O)C)CCC(C)=CC=C(C(C)C)CC3)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 556.74
CB1 binding score: -15.545
InChIKey:LMOFGMILLYGPBG-UHFFFAOYSA-N
ID: 49716
SMILES:C12(C)CCC(=O)C(C)(C)C13CC3c1c(cc(CCCCC)c(C(=O)O)c1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -13.716
InChIKey:SUDCGABJOIBLFS-UHFFFAOYSA-N
ID: 49717
SMILES:CC1=CCC2C(C1)c1cc(Br)c(C)cc1OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 321.258
CB1 binding score: -17.7
InChIKey:JVAPHQAMSGYOEB-UHFFFAOYSA-N
ID: 49718
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1=CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.484
InChIKey:SFQCHTBSAMCNBB-UHFFFAOYSA-N
ID: 49719
SMILES:CC12C=CC(C)C(C)C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.438
InChIKey:VWTNRTZKHQRSRL-UHFFFAOYSA-N
ID: 49720
SMILES:C(c1c(O)c(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21)CC=CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -12.017
InChIKey:IIDSREOTXMSBPC-UHFFFAOYSA-N
ID: 49721
SMILES:O1C2C(O)(c3c(OC)cc(CCCCC)cc3OC2(C)C)C(=O)C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -17.191
InChIKey:GTUUKOSDNDNTPN-UHFFFAOYSA-N
ID: 49722
SMILES:C(C)(CCC=C(C)C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 49723
SMILES:C(C)(=O)OC1C(Oc2c3c(cc(C)c2)OC(C)(C)C2CCC(C)=CC23)OCC(OC(=O)C)C1OC(=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 516.587
CB1 binding score: -14.045
InChIKey:SYXIARSPKLKQCE-UHFFFAOYSA-N
ID: 49724
SMILES:C(Oc1c(CC=C(CCC=C(C)C)C)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.652
CB1 binding score: -12.605
InChIKey:RDZWXMSQSSVUHJ-UHFFFAOYSA-N
ID: 49725
SMILES:Oc1cc(OCCCC)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.446
InChIKey:SCPMQCMZMHXLIU-UHFFFAOYSA-N
ID: 49726
SMILES:c1(OC)c(CCCC)c(O)c2c(c1)OC(C)(C)C1CCC(C)(O)C=C21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.929
InChIKey:AZIASGXMJNEVBN-UHFFFAOYSA-N
ID: 49727
SMILES:Oc1c(CC=C(C)CCC=C(C)C)ccc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.003
InChIKey:KXYIDYXHLDYCQN-UHFFFAOYSA-N
ID: 49728
SMILES:C1C(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N