ID: 72661
SMILES:CC1(C)CC(=O)C=C(COC(C)=O)C12c1c(cc(C)cc1O)OC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.38
CB1 binding score: -15.519
InChIKey:AUGSKOZUCIOEQK-UHFFFAOYSA-N
ID: 72662
SMILES:CC1=CC2C(C(C)(C)Oc3cc(O)c(Cc4c(O)cc(CC)cc4O)c(O)c3C(=O)C2)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.547
CB1 binding score: -14.983
InChIKey:VNKDSQLVQYPFOV-UHFFFAOYSA-N
ID: 72663
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCCC)c2)C2C1CCC1(C)C(O1)CCC2=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.874
InChIKey:QSBYGYGKOPOUHB-UHFFFAOYSA-N
ID: 72664
SMILES:C(CCC(C=Cc1c(O)cc(CCCCC)c(C(O)=O)c1O)(O)C)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -17.012
InChIKey:DYBQEOSPSCEQHK-UHFFFAOYSA-N
ID: 72665
SMILES:C(=CCC=CCc1cc2c(cc1O)OC(C)(C)C1C2C=C(C)CC1)CCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.653
CB1 binding score: -15.184
InChIKey:SLGACGZSDBRDCN-UHFFFAOYSA-N
ID: 72666
SMILES:O1c2c(c(O)cc(CCCCC)c2)C(=O)C12C1=C(O2)C(C(C)=CCC=C(C)C)CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.592
CB1 binding score: -15.56
InChIKey:SAUBEGILPWNFCM-UHFFFAOYSA-N
ID: 72667
SMILES:C1(O)C=C(C)C2C(C)(C)Oc3cc4c(c(O)c3C2O1)C=CC(C)(CCC=C(C)C)O4
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.526
CB1 binding score: -16.137
InChIKey:AQWPNTDAIKXZRV-UHFFFAOYSA-N
ID: 72668
SMILES:C(OC(C=C(C)C(C)C)=O)c1c(O)cc(O)c2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -15.29
InChIKey:NEEOLSIMYLWDOQ-UHFFFAOYSA-N
ID: 72669
SMILES:O1C(=O)C2c3c(c(CCCCC)cc(O)c31)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -11.971
InChIKey:CRSVVHWYALAHJT-UHFFFAOYSA-N
ID: 72670
SMILES:C(C)(=C)C1C(c2c(C)cc(O)cc2CO)OC(C)(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 306.402
CB1 binding score: -15.047
InChIKey:IIEDGWLQQWPCAU-UHFFFAOYSA-N
ID: 72671
SMILES:C1CC(C(C)CC(C)C)=C(Cc2c(CO)cc(O)c3c2OC(C)(C)C(=O)C3)C1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.595
InChIKey:LYMFHFCCCATOBL-UHFFFAOYSA-N
ID: 72672
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2(O)C(O)(C1C(C(=O)CC(C)C)C)C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -15.859
InChIKey:HNDIXIDIYHPAQA-UHFFFAOYSA-N
ID: 72673
SMILES:CCCCCCc1cc2c(c(O)c1C(=O)O)OC(C)(C)C1C2C=C(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -11.942
InChIKey:ARSMFIXDAWSVOE-UHFFFAOYSA-N
ID: 72674
SMILES:c1c(C)cc2c(c1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 72675
SMILES:C1C(CCC(C)=O)C(C)(C)Oc2cc(CCc3ccccc3)cc(O)c21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.474
CB1 binding score: -16.862
InChIKey:ULHOVICGEWQTCA-UHFFFAOYSA-N
ID: 72676
SMILES:C=C1C2(CC(O)C(C)=CC2CC(=CCc2c(O)c(C)cc(OC(=O)C)c2)C)OC(C(O)(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.633
CB1 binding score: -18.077
InChIKey:WGSRZKQVUXTJPK-UHFFFAOYSA-N
ID: 72677
SMILES:C(=C(C)C)CCC1=CC(c2c(O)c(C(=O)O)cc(CCCCC)c2)C(C(O)(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -15.929
InChIKey:MTNLPKVLIYMCAZ-UHFFFAOYSA-N
ID: 72678
SMILES:C12C(C1)c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -17.624
InChIKey:SFKCWCDDXYSANA-UHFFFAOYSA-N
ID: 72679
SMILES:C1C23C1c1c(cc(CCCCC)cc1OC1C(O)C(O)C(OC(=O)C)CO1)OC(C)(C)C2CC=C3C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 500.632
CB1 binding score: -14.277
InChIKey:PWQHNLNXEFXJNV-UHFFFAOYSA-N
ID: 72680
SMILES:C(CCC)CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 72681
SMILES:C1(=O)C(C)=C2C(C)(C)Oc3c(cc(O)cc3CCC=CCC)C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -16.731
InChIKey:DJVJHUBJTNEJGX-UHFFFAOYSA-N