ID: 56050
SMILES:C1C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 56051
SMILES:C(c1cc2c(cc1)C(C)(C)Oc1c-2c(O)cc(C)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 268.356
CB1 binding score: -18.632
InChIKey:PDLNTLBYWHTIKC-UHFFFAOYSA-N
ID: 56052
SMILES:Oc1c(O)c(C(=O)C(C)CC)c2c(c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.483
InChIKey:XPGKLBFFRNATOI-UHFFFAOYSA-N
ID: 56053
SMILES:C1(CO)C(O)CC2C(C)(C)CCCC2(C)C12Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -15.383
InChIKey:VKUMIXPPGNTJRR-UHFFFAOYSA-N
ID: 56054
SMILES:C(CCCc1cc2c(c(O)c1)-c1c(ccc(C)c1)C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 56055
SMILES:C(CCCc1cc(O)c2c3c1C(=O)C(O)C2C(C)(C)O3)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -16.103
InChIKey:ULCKSHOFBFEHJP-UHFFFAOYSA-N
ID: 56056
SMILES:CC1(C)Oc2c(c(O)cc(O)c2C(=O)C(C)CC)C2C1CC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.604
InChIKey:VWTHNNZUPUPSLT-UHFFFAOYSA-N
ID: 56057
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2C(O)C(O)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -19.298
InChIKey:TZGCTXUTNDNTTE-UHFFFAOYSA-N
ID: 56058
SMILES:C1C2C(O)(c3c(cc(CCCCC)cc3O)OC2(C)C)C(=O)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -17.434
InChIKey:SUIYHRSVQMWRDX-UHFFFAOYSA-N
ID: 56059
SMILES:C(C)CCCc1cc2c(c(O)c1)C1=C(C(C)(C)O2)CC=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -18.598
InChIKey:WQGSCGWJXGYPHD-UHFFFAOYSA-N
ID: 56060
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 56061
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 56062
SMILES:C(C)CCCCc1cc2c(c(O)c1)C1C(=C(C)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.015
InChIKey:IHHQBSQIRROPNT-UHFFFAOYSA-N
ID: 56063
SMILES:C(C(O)(C)C)CC(CCCC(C)=C)C(=CCc1c(O)c(C)cc(O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -14.784
InChIKey:JTVCHVWZVONBEE-UHFFFAOYSA-N
ID: 56064
SMILES:c1c(CCCCC)cc2c(c1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 56065
SMILES:C1C(C)CCCC(C)=CCC2C(C)(C)Oc3cc(CCCC)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -17.388
InChIKey:MXQYQQSDZAODDZ-UHFFFAOYSA-N
ID: 56066
SMILES:Oc1c2cc(c(C(O)C=O)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -13.196
InChIKey:ALDVFRVKCXJMHA-UHFFFAOYSA-N
ID: 56067
SMILES:c1c(CC(C)(C2=CCC3(CC3)C(O)(C)CC2)C)cc(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -13.732
InChIKey:NKVFCXLSEDUURZ-UHFFFAOYSA-N
ID: 56068
SMILES:CC(C)C1=CCC2(C)CC3C(C)(Oc4c(cc(CCCCC)cc4O)O3)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -19.933
InChIKey:NNOMGTVESFBGFO-UHFFFAOYSA-N
ID: 56069
SMILES:C(C(CC(C(=C)C)=O)I)(=CCc1c(O)cc(CCCCC)c(OC(C)=O)c1)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.401
CB1 binding score: -15.288
InChIKey:YEXQZXMHZUOEAQ-UHFFFAOYSA-N
ID: 56070
SMILES:O1CC2(c3c(cc(CCCCC)cc3O)OC2(C)C)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -17.26
InChIKey:BTPPPYQEMGKDHH-UHFFFAOYSA-N