ID: 116992
SMILES:C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1CC(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 116993
SMILES:C1(O)C(O)C(OC(=O)C)C(Oc2c3c(cc(CCCC)c2)OC2(C)CCC(C(O)(C)C)CC2C3C(=O)c2c(O)ccc(O)c2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 628.715
CB1 binding score: -15.465
InChIKey:GRBPSKIFBITRNX-UHFFFAOYSA-N
ID: 116994
SMILES:O=C(O)C(NC(C(C)=CCCC(C)=CCc1c(O)cc(CCCCC)cc1O)=O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 417.546
CB1 binding score: -15.379
InChIKey:CFRWYYDRQRDOQA-UHFFFAOYSA-N
ID: 116995
SMILES:CC(C)=CCCC(C)CCCC(=CCc1cc(O)c(C)cc1OC(C)=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -16.288
InChIKey:RDZLJWYCXWFRLY-UHFFFAOYSA-N
ID: 116996
SMILES:C1(C(C)=C)C(c2c(O)cc(CCCCC)cc2OC)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.302
InChIKey:IPGGELGANIXRSX-UHFFFAOYSA-N
ID: 116997
SMILES:C1=C(C)CCC12C(C)(C)Oc1cc(C)cc(O)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -17.936
InChIKey:DTMDKCVGRZGUPV-UHFFFAOYSA-N
ID: 116998
SMILES:C1(OCC)C2C(C)(C)Oc3c(c(O)cc(CCc4ccc(O)c(O)c4)c3)C2(O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.498
CB1 binding score: -12.931
InChIKey:NEKAMDZTHYTXOT-UHFFFAOYSA-N
ID: 116999
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C[N+](=O)O)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.473
CB1 binding score: -12.511
InChIKey:XJWULDPFJXQNRV-UHFFFAOYSA-O
ID: 117000
SMILES:OC(CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -18.653
InChIKey:BAUFCAQNSLPYGF-UHFFFAOYSA-N
ID: 117001
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 117002
SMILES:C(CCC=C(C)C)(C=CCC(=CCc1c(O)c(C)cc(O)c1)C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -17.881
InChIKey:XJGZQRUFAFFUAF-UHFFFAOYSA-N
ID: 117003
SMILES:C1(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -18.306
InChIKey:SCWSGMRHTABSRY-UHFFFAOYSA-N
ID: 117004
SMILES:C(C)(C1CCC(C)CC1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.501
CB1 binding score: -21.078
InChIKey:LXIXAVCVBZBXIY-UHFFFAOYSA-N
ID: 117005
SMILES:C1CC(C)=CC(c2c(O)cc(CCC)cc2O)C1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -20.128
InChIKey:YOJPFISTURZHJT-UHFFFAOYSA-N
ID: 117006
SMILES:C(C(C)=CCc1c(O)c(C)cc(OC(C)(C)C)c1)=CC(C)(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -13.859
InChIKey:ONKPABKAMAQXGJ-UHFFFAOYSA-N
ID: 117007
SMILES:C(CC1(C)C(C(=C)C)CC(OC)C1(O)C)C(O)C(C)=CCc1c(O)c(C)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.574
CB1 binding score: -13.558
InChIKey:UZCTVTSRRPZYNH-UHFFFAOYSA-N
ID: 117008
SMILES:CC(C)=CCc1c(O)cc(CCCCC)cc1OC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.393
CB1 binding score: -19.169
InChIKey:FCNLMUQPSJEBQE-UHFFFAOYSA-N
ID: 117009
SMILES:C(Cc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)=CC1=CC(CC(C)=CCCc2cocc2)C(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.745
CB1 binding score: -14.934
InChIKey:GQEHUHJZFGAWSN-UHFFFAOYSA-N
ID: 117010
SMILES:c1(O)cc(C2C(C#CC(CCC=C(C)C)=C)C(=O)C(CC)=C(O)C2=O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 528.689
CB1 binding score: -15.67
InChIKey:IWGBFHJGFWVJLU-UHFFFAOYSA-N
ID: 117011
SMILES:c1(OC)cc(CC=C(CC(=O)C=C(CC2(C)C(O)CC(=O)O2)OC(=O)C)C)c(O)c(O)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.468
CB1 binding score: -15.714
InChIKey:GQYAZLDZQMSGKY-UHFFFAOYSA-N
ID: 117012
SMILES:c1(COC(C2=CC3CC(C)(C)CC2C3=C)=O)c(O)cc(O)c(C(=CC(C)C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.527
CB1 binding score: -15.951
InChIKey:ZKELWVDUCHKIHM-UHFFFAOYSA-N