ID: 48994
SMILES:C12=C(C)C(=O)CC1C(CO)(C)Oc1cc(CCCCC)c(C(O)=O)c(O)c1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.46
CB1 binding score: -14.691
InChIKey:WXXYIRABKFDVAF-UHFFFAOYSA-N
ID: 48995
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2O)C2C1CC=C(CO)CCC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -14.204
InChIKey:FVRCCOZIWNFVMQ-UHFFFAOYSA-N
ID: 48996
SMILES:CC1=CC2C(c3c(O)cc(CCCCC)cc31)C(C)C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -12.728
InChIKey:YSRYTQBXLVDTPZ-UHFFFAOYSA-N
ID: 48997
SMILES:CCCCCc1cc(O)c(C2C=C(C)CCC2C(=O)C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -13.703
InChIKey:GKEVWQVBBDVSCU-UHFFFAOYSA-N
ID: 48998
SMILES:C123COC(C)(C)OC1CCC(C)C2c1c(cc(CCCCC)c(C(=O)OC)c1O)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.53
CB1 binding score: -15.367
InChIKey:IYXSGBOMKNWEQY-UHFFFAOYSA-N
ID: 48999
SMILES:CC(=O)OC1C(CCC=C(C)C)=CCC2C(c3c(O)cc(CCC)cc3OC(C)(C)C2)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -13.966
InChIKey:RDBZNSQNXUUPEK-UHFFFAOYSA-N
ID: 49000
SMILES:C(CCc1cc(O)c2c(c1)OC(CCC=C(C)C)(C)C(O)C1OC12C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.198
InChIKey:ZLIPJGCCSHRJJW-UHFFFAOYSA-N
ID: 49001
SMILES:C1(CC(=O)C=Cc2ccc(OC)cc2)C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.564
CB1 binding score: -15.675
InChIKey:YLPZMDHRINYTSN-UHFFFAOYSA-N
ID: 49002
SMILES:C(CCC(C)CC)(c1cc(C(O)=O)cc(O)c1-c1cc(C(O)CCCCC)cc2c1CC(O)C(C)(C)O2)CCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 554.768
CB1 binding score: -12.358
InChIKey:JODPBLWQCQRKJN-UHFFFAOYSA-N
ID: 49003
SMILES:O(C)c1c(CCCC(O)C)cc(O)c2c1OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.313
InChIKey:ZWCKWECSKXCCTC-UHFFFAOYSA-N
ID: 49004
SMILES:C1(C)CCC(C(C)C)C(=O)C1c1c(O)cc(CCCCCO)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -14.434
InChIKey:YOKKXBKZIKVMQE-UHFFFAOYSA-N
ID: 49005
SMILES:C1(O)C(C)=CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.186
InChIKey:KQQMZTULVOWZJR-UHFFFAOYSA-N
ID: 49006
SMILES:O=C(C)OC(C(C)C)c1c2c(ccc1)C(=O)C1CC(C)(O)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.108
InChIKey:HXCDJNBIKITHEV-UHFFFAOYSA-N
ID: 49007
SMILES:C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)C(=O)C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.402
InChIKey:XNBWPVCAZAVLDF-UHFFFAOYSA-N
ID: 49008
SMILES:C1C(C)=CC(c2ccc(CCCCC)cc2)C(C(C)(C)O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 49009
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 49010
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C(=O)O)CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 49011
SMILES:C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)C=C(CO)C1CC(=O)C(C)=C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.527
CB1 binding score: -15.967
InChIKey:IDZSEGJBQWJAND-UHFFFAOYSA-N
ID: 49012
SMILES:C1(c2c(O)cc(CCCCC)cc2O)OC2C=C(C)CCC(O)C(=C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.232
InChIKey:BXNDFAZANIMABS-UHFFFAOYSA-N
ID: 49013
SMILES:C(Cc1cc(O)c2c(c1)OC(CCC(C(C)C)=O)(C)C(O)C2)CC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -12.656
InChIKey:XTWHTLBZXJPAMT-UHFFFAOYSA-N
ID: 49014
SMILES:Oc1c(O)c2c(c(C)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -16.326
InChIKey:TWSMWNXWNZRZTM-UHFFFAOYSA-N