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Molecule Identifiers
Molecular Properties

ID: 69175

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1(O)C(=O)C3C(C1(C)C(C(O)(C)C)CC3)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -12.787

InChIKey:
BPUDCYQOJNUJTC-UHFFFAOYSA-N

ID: 69176

SMILES:
C1(C(O)CCC(C)=CCc2c(O)ccc(O)c2)CC(C)(C)OC(C)(C)C=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -15.069

InChIKey:
LUULRYZDQZNILG-UHFFFAOYSA-N

ID: 69177

SMILES:
CC(c1cc(CCCCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.551

CB1 binding score: -17.083

InChIKey:
UDVYGMYEKIFGQW-UHFFFAOYSA-N

ID: 69178

SMILES:
O1C(CO)C(O)C(O)C(O)C1OCc1ccc(O)c(C2C=C(C)CCC2C(=C)C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.501

CB1 binding score: -15.954

InChIKey:
ZJZIKNSQAYWMRS-UHFFFAOYSA-N

ID: 69179

SMILES:
C(CCCc1cc(O)c2c(c1C(=O)C(CC)C)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.131

InChIKey:
ZFVKIAOHMBJRDV-UHFFFAOYSA-N

ID: 69180

SMILES:
C(C)(=CCc1c(CCCCC)cc(O)cc1O)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.891

InChIKey:
JFJAMLJGMDJCRJ-UHFFFAOYSA-N

ID: 69181

SMILES:
c1(CCCCC)cc(O)c2c(c1O)OC(C)(C)C1CCC(C=O)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.124

InChIKey:
XHRGUCBHMZTCGM-UHFFFAOYSA-N

ID: 69182

SMILES:
C(CC)C(O)Cc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -14.136

InChIKey:
FYFIFYLORLHNMZ-UHFFFAOYSA-N

ID: 69183

SMILES:
CC1=CC(O)C2C(C1)c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.567

InChIKey:
URRJUSLCXVXZOX-UHFFFAOYSA-N

ID: 69184

SMILES:
C(CCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C(C)=CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -15.79

InChIKey:
DJSOXWSWOPJMRU-UHFFFAOYSA-N

ID: 69185

SMILES:
CC1=CC2C(CC1)C(C)(C)Oc1c2c(OC)cc2c1CC(O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -15.929

InChIKey:
CPQCHBNVHWRLRB-UHFFFAOYSA-N

ID: 69186

SMILES:
C1(c2c(O)cc(CCCCC)cc2)C=C(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.957

InChIKey:
OANGEIYPAQYPQV-UHFFFAOYSA-N

ID: 69187

SMILES:
C(CCC)Cc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 69188

SMILES:
CCCCCc1cc2c(c(O)c1)C1C(CCC(COC(=O)C)(O)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -17.064

InChIKey:
SGTAAJWRIGSFEW-UHFFFAOYSA-N

ID: 69189

SMILES:
C(CCc1cc(O)c2c(c1)OC(CCC=C(C)C)(C)C=C2)(CC)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -14.237

InChIKey:
MVZTVZUCUZXSPG-UHFFFAOYSA-N

ID: 69190

SMILES:
Cc1c(C)c(I)c(C=O)c(C2C=C(C)CCC2C(C)=C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.295

CB1 binding score: -13.375

InChIKey:
NWSXEUXFPZCCRP-UHFFFAOYSA-N

ID: 69191

SMILES:
Cc1ccc(COC2C=C(C)CCC3C(C)(C)Oc4c(c(O)cc(CCCC)c4)C3C=C(C)C2)c(OC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 518.738

CB1 binding score: Not available

InChIKey:
UUZGQHKPCCAWSV-UHFFFAOYSA-N

ID: 69192

SMILES:
Oc1c(OC)c(CCCCC)cc(O)c1CC=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -16.615

InChIKey:
RBAMEMWAPDBZPD-UHFFFAOYSA-N

ID: 69193

SMILES:
C1CCC2=C(C1(C)O)C(C)(C)Oc1c2c(O)cc(C(C)(C)C(CC)O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -16.789

InChIKey:
DPFRDKVOYSTILU-UHFFFAOYSA-N

ID: 69194

SMILES:
c1(O)c2c(c(C(O)=O)c(CCCCC)c1)OC(C)(CCC=C(C)C)C(O)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -13.772

InChIKey:
ZSJWHLIJJWIYBU-UHFFFAOYSA-N

ID: 69195

SMILES:
C1(C(=C)C)CCC(C)(O)C2Oc3c(c(O)cc(CCC)c3)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.123

InChIKey:
SMXSKQNEQWKRKO-UHFFFAOYSA-N

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69175–69195 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties