ID: 115858
SMILES:c1(O)c(CC=C(CCC=C(CCC=C(C)C)CO)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -18.095
InChIKey:NWYNUCLRLSZSMF-UHFFFAOYSA-N
ID: 115859
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C(O)=O)CCC1(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.988
InChIKey:WPOFOVYIDVBDJZ-UHFFFAOYSA-N
ID: 115860
SMILES:Cc1c(OC)c(OC)c2c(c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.698
InChIKey:DCZWGRWXFRSNIK-UHFFFAOYSA-N
ID: 115861
SMILES:CCCCCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.609
InChIKey:HAKUWGCTBUVNJQ-UHFFFAOYSA-N
ID: 115862
SMILES:C1(C(=C)C)CCC(C)=Cc2c(c(O)cc(CCCCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -14.781
InChIKey:RNTDSUKPPIENCX-UHFFFAOYSA-N
ID: 115863
SMILES:C(C=C)c1c(O)cc2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -16.405
InChIKey:VPSGHVAOXIEMPQ-UHFFFAOYSA-N
ID: 115864
SMILES:C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)CC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.563
InChIKey:CODIXLGYYWMJFS-UHFFFAOYSA-N
ID: 115865
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)C=C1)C(CCCCCCCCCCCCC)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.776
CB1 binding score: -16.502
InChIKey:VVUVZCKDQMBPON-UHFFFAOYSA-N
ID: 115866
SMILES:[N]1C(OC)C(C)=C(CCC(C)=CCc2c(O)cc(CCCCC)cc2O)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.512
CB1 binding score: -15.562
InChIKey:DVYOBYLSIBYYDE-UHFFFAOYSA-N
ID: 115867
SMILES:O=C(OC)C(C)=CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -13.855
InChIKey:BAWITJSXMWSDEA-UHFFFAOYSA-N
ID: 115868
SMILES:C(CC)Cc1c(O)c(O)c2c(c1)OC(C)(C)C1C2CC(=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.929
InChIKey:ALVSIACBINDYAF-UHFFFAOYSA-N
ID: 115869
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 115870
SMILES:C(=C1C(=O)CC2(C)Oc3cc(C)cc(O)c3C1C2)C=CC(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.393
CB1 binding score: -15.374
InChIKey:NDMMGHXBCKGGRP-UHFFFAOYSA-N
ID: 115871
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C(C(C)=C)CCC(O)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -15.842
InChIKey:LSFUYICTGDCEEG-UHFFFAOYSA-N
ID: 115872
SMILES:c12c(O)cc(CCC)cc1C1CC(C)(C)OC(C)(C)C1C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -15.929
InChIKey:LFOCSBWGBXKJHX-UHFFFAOYSA-N
ID: 115873
SMILES:O(C)c1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 115874
SMILES:c1(C)cc2c(c3c1OC1CC(C)=CC4c5c(O)cc(CCC)cc5C(CC1C(C)(C)OC4=O)C=C3)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 622.846
CB1 binding score: -13.192
InChIKey:VRZBKXOQAAAGEI-UHFFFAOYSA-N
ID: 115875
SMILES:CC1(C)OC1CCC(C)=CCCC1(C)Oc2c(C)cc(O)cc2C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.553
InChIKey:ACVWHKVJGOVUKG-UHFFFAOYSA-N
ID: 115876
SMILES:CC(C)C1CCC(C)=CC1c1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -20.128
InChIKey:YOJPFISTURZHJT-UHFFFAOYSA-N
ID: 115877
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.06
InChIKey:WQVFVTKXRBQFFH-UHFFFAOYSA-N
ID: 115878
SMILES:c1(CC(C)C)cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1Cl
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.887
CB1 binding score: -15.182
InChIKey:ISGMXJWSZQQVCS-UHFFFAOYSA-N