ID: 111070
SMILES:C12C(C)(C)Oc3c(ccc(C)c3)C1C=C(C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.037
InChIKey:TWNNHTGNOPUEHO-UHFFFAOYSA-N
ID: 111071
SMILES:CC1(C)C=Cc2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -20.081
InChIKey:XLSYFQOJMWXOCT-UHFFFAOYSA-N
ID: 111072
SMILES:O1c2cc(CCCCC)cc(O)c2C2C=C(CCC=C(C)C)C(=O)OC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -14.891
InChIKey:HHCIKEOBSGMFIU-UHFFFAOYSA-N
ID: 111073
SMILES:Oc1c(CC=C(C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 111074
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 111075
SMILES:CC1(C=C)CCC(C(C)(O)C)C(c2c(O)cc(CCCCC)cc2O)C1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -17.011
InChIKey:XEXSTTHBKYFETK-UHFFFAOYSA-N
ID: 111076
SMILES:C12c3c(O)cccc3OC(C)(C)C1CCC(C)(O)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -16.403
InChIKey:JKIYASBTLQQDOV-UHFFFAOYSA-N
ID: 111077
SMILES:C1CC2(C)C(C(C)(C)C1)C(OCCCC)c1cc(C(=O)OC)c(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.629
CB1 binding score: Not available
InChIKey:RYIYSULFTVTGIL-UHFFFAOYSA-N
ID: 111078
SMILES:C(CC)Cc1cc(O)c2c(c1)OC1C2C(C(=C)C)CCC1(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.426
InChIKey:FCEHNVUSBXPIAZ-UHFFFAOYSA-N
ID: 111079
SMILES:C(CCCC)c1cc2c(c(O)c1)C1=C(CCC(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.622
InChIKey:NEBZNJDFIPBXCS-UHFFFAOYSA-N
ID: 111080
SMILES:C=C(C)C12C(CC(C)C1)c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -13.933
InChIKey:ANXVPHVKIBYZDU-UHFFFAOYSA-N
ID: 111081
SMILES:Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.979
InChIKey:GKVOVXWEBSQJPA-UHFFFAOYSA-N
ID: 111082
SMILES:C1(C)=CC2C(=CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.484
InChIKey:SFQCHTBSAMCNBB-UHFFFAOYSA-N
ID: 111083
SMILES:C1(C(=C)C)Oc2cc(CCCCCC)cc(O)c2C2C=C(C)CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -15.435
InChIKey:CFTBUHGNKUHLHF-UHFFFAOYSA-N
ID: 111084
SMILES:c1c(O)c(CC=C(CCC=C(C)C)C)c(O)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 111085
SMILES:C=C(C)C1CC(=O)C2(C)Oc3c(c(O)cc(C(C)C(C)CC)c3)C(C(=O)O)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -12.709
InChIKey:AOEVSUCLCWDHNI-UHFFFAOYSA-N
ID: 111086
SMILES:c1c(O)cc2c(c1C(C)C)C1C=C(C(O)=O)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -16.244
InChIKey:XTYLOYHXFCABFF-UHFFFAOYSA-N
ID: 111087
SMILES:C=C(C)C1C(C=CN(C)C)=CCC(C)C12Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 381.56
CB1 binding score: -14.348
InChIKey:LIQMVBLXCMAXKJ-UHFFFAOYSA-N
ID: 111088
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1=CCC(C)(OC(C)=O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.753
InChIKey:YWKYEPJNEHOCPF-UHFFFAOYSA-N
ID: 111089
SMILES:C(CCC)c1cc(OC)c(O)c(C2C=C(C)CCC2C(=C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.325
InChIKey:AHNUGNWZCMLCSM-UHFFFAOYSA-N
ID: 111090
SMILES:C(C)(C)(c1cc(O)c2c(c1)OC(C)(C)C(O)CC2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -15.46
InChIKey:KTTCAEKNVYPVKP-UHFFFAOYSA-N