ID: 15079
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 15080
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)-c2c1c(C(O)C(C=C)(C)C)c(C)cc2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -15.666
InChIKey:JZVFXFXRETVNKV-UHFFFAOYSA-N
ID: 15081
SMILES:C(CCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)(O)C)(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.216
InChIKey:ZGCXGGZKDPFSNB-UHFFFAOYSA-N
ID: 15082
SMILES:C(C(C)=CCc1c(O)c(C(OC)CCCCC)cc(O)c1)CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -15.144
InChIKey:JBVJBOXNAFXBFN-UHFFFAOYSA-N
ID: 15083
SMILES:Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)(O)C1OC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.412
CB1 binding score: -13.944
InChIKey:LWUQVRLLAMGPBL-UHFFFAOYSA-N
ID: 15084
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C2C(C)(O)C3C(C21)C=C(C)CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.599
CB1 binding score: -14.651
InChIKey:WNISWEPBXXDSBL-UHFFFAOYSA-N
ID: 15085
SMILES:C(CN)CCc1cc(O)c2c(c1O)OC(C)(C)C1C2C(O)CC(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 367.442
CB1 binding score: -13.99
InChIKey:LERVRGIFOSEBCF-UHFFFAOYSA-N
ID: 15086
SMILES:C1(C)(C)C2C(O)Oc3c(c(O)cc(CCCCC)c3)C2CCC1=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -11.742
InChIKey:MTDWSENIJUEGCP-UHFFFAOYSA-N
ID: 15087
SMILES:C1C(C)=CC=C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.106
InChIKey:BARGKLHCBRCMLH-UHFFFAOYSA-N
ID: 15088
SMILES:C(CC(C)=CCc1c(O)cc(CCCCC)c(C(O)=O)c1O)CC(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 378.509
CB1 binding score: -16.977
InChIKey:LJBFFDUHHHECFR-UHFFFAOYSA-N
ID: 15089
SMILES:C(CCCCCCCC(OCc1cc(OC)c(C2C(C(C)=C)CCC(C)=C2)cc1)=O)(C(C)=CC)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.705
CB1 binding score: -14.974
InChIKey:UDPJQWWRLUMHJV-UHFFFAOYSA-N
ID: 15090
SMILES:OC(C(C(O)CC(=O)OC)(O)C)Oc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.501
CB1 binding score: -15.775
InChIKey:SKUOPLXIUDWNLA-UHFFFAOYSA-N
ID: 15091
SMILES:C(Cc1c(O)c(C(C(C)C)=O)c(O)c2c1OC1(C)C3CC(C(C)(C)O3)CC(C2=O)C1)CCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.595
CB1 binding score: -15.892
InChIKey:YJAPJGWFZFAMNZ-UHFFFAOYSA-N
ID: 15092
SMILES:C1(=O)C2CCC(C(=O)O)CC2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -16.724
InChIKey:MSLCBCXMMAPIDU-UHFFFAOYSA-N
ID: 15093
SMILES:C(CC)Cc1ccc(O)c(C2C(C(=C)C)CCC(C)=C2)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -17.823
InChIKey:MJPGPIDFMYMEIN-UHFFFAOYSA-N
ID: 15094
SMILES:C(CCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(CO)C1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -16.452
InChIKey:PHPRUBXXTHALTI-UHFFFAOYSA-N
ID: 15095
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C3(C)C(O)CC(C(C)=C)C13C(=O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -15.357
InChIKey:FFWMYOCPRIHFOG-UHFFFAOYSA-N
ID: 15096
SMILES:C(Cc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)=CC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.849
InChIKey:JAKGYBYUIRWOBF-UHFFFAOYSA-N
ID: 15097
SMILES:c1(C)ccc2c(c1)-c1c(cc(CCCCCCC)cc1O)OC2(C)C=CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.594
CB1 binding score: -14.041
InChIKey:QLYOZDDJOYXDJF-UHFFFAOYSA-N
ID: 15098
SMILES:C(CCc1cc(OC)c(C2C(C(C)C)CCC(C)=C2)cc1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.54
CB1 binding score: -17.396
InChIKey:MGTNRQOKFAZQMM-UHFFFAOYSA-N
ID: 15099
SMILES:c1(O)c(C(C(C)CC)=O)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.453
InChIKey:NIZQVFOBIVYVBJ-UHFFFAOYSA-N