ID: 42841
SMILES:C(CCC(C1=C(C)C2(C=C(C)C3C(C)(C(=O)O3)C2)Oc2c1cc(O)c(C)c2)OC(=O)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.536
CB1 binding score: -13.633
InChIKey:ZHUVKHAHIUHULO-UHFFFAOYSA-N
ID: 42842
SMILES:OC1C(C)(C)C2C3(C(C)CC2)C(c2c(O)cc(CCCCC)cc2O1)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.618
InChIKey:PEGONQRSYBYLGV-UHFFFAOYSA-N
ID: 42843
SMILES:c1c(O)c2c(c(C=O)c1CCCC)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -14.192
InChIKey:XYKYGFBGVVPZJD-UHFFFAOYSA-N
ID: 42844
SMILES:CC1(C)Oc2c(c(OC)cc(CCC(CC(C(C)CC)C(O)=O)=O)c2)C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -15.84
InChIKey:ZTILUKKVWLZXGQ-UHFFFAOYSA-N
ID: 42845
SMILES:C(CCCc1cc2c(c(O)c1)C1(O)CC(O)C(C)(C)OC1C2)C=CC=C(C)C(=O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -12.741
InChIKey:QUYBAXGSICVMKJ-UHFFFAOYSA-N
ID: 42846
SMILES:C1C(C)=CCC2C(C)(C)Oc3c(c(O)c(C(OC)=O)c(O)c3C=O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.379
CB1 binding score: -15.074
InChIKey:IBZADESDEQBXGE-UHFFFAOYSA-N
ID: 42847
SMILES:C12C3(C)C(CC(=O)OC)C4(C)c5c(c(OC)c(-c6ccc(OC)cc6)c(O)c5O)OC(C)(C)C4C3OC1CC(=O)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 610.7
CB1 binding score: -14.461
InChIKey:HFSTZBRSZADDLU-UHFFFAOYSA-N
ID: 42848
SMILES:C1C2C(O)(C)CCC(C(C)=C)C2c2c(cc(CCCCC)c(C=O)c2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.256
InChIKey:WDASRGHOXQEAPB-UHFFFAOYSA-N
ID: 42849
SMILES:Oc1cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 42850
SMILES:C(c1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(C(=O)O)c1)C=C(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -15.232
InChIKey:YJGUYKIIMRXUGK-UHFFFAOYSA-N
ID: 42851
SMILES:C(C(CCC=C(C)C)C)CCC(=CCc1c(O)c(C)cc(O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.162
InChIKey:GVVUQQWWMGBFAL-UHFFFAOYSA-N
ID: 42852
SMILES:C1C2c3c(cc(CCCCC)cc3O)OC(C)(C)C1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -17.195
InChIKey:REVRCKJNLFQWPE-UHFFFAOYSA-N
ID: 42853
SMILES:CC(C)=CCCC(=CCc1c(OC(C)=O)cc(C)c(O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -19.332
InChIKey:HAXRQCRJABYNJC-UHFFFAOYSA-N
ID: 42854
SMILES:C1(O)CC(C(C)=C)Cc2c1c(C)c(CCC(O)CC)cc2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: Not available
InChIKey:GDDMVGFXJVFFQO-UHFFFAOYSA-N
ID: 42855
SMILES:O1C(C)(C)C2CCC(C)CC2c2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 42856
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 42857
SMILES:O=Cc1c(O)cc2c(c1CCCCC)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -12.852
InChIKey:MMWZXDIUUUXLSJ-UHFFFAOYSA-N
ID: 42858
SMILES:c1(CC2=C(C)C(=O)CC2C(C)C)cc(CCCCC)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -14.035
InChIKey:UAKFJJRFCZOIHS-UHFFFAOYSA-N
ID: 42859
SMILES:C12C(=CCC(C)C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.797
InChIKey:UQOUHXDCXBITSF-UHFFFAOYSA-N
ID: 42860
SMILES:OCCc1cc(O)cc(C2C=C(C)CCC2C(C)=C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -15.609
InChIKey:RHXLLJCTRRNICC-UHFFFAOYSA-N
ID: 42861
SMILES:CC(C1C2CC=C(C)CC1c1c(O)cc(CCCCC)cc1O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.126
InChIKey:JDWNORIAHXPUFQ-UHFFFAOYSA-N