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Molecule Identifiers
Molecular Properties

ID: 90238

SMILES:
c1(O)ccc2c(c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.07

InChIKey:
LIEZPCZOEMYUIR-UHFFFAOYSA-N

ID: 90239

SMILES:
C12C3(C)CCC(O)C(C)(C)C3CCC1c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -17.171

InChIKey:
HIAGXHATMFHHMI-UHFFFAOYSA-N

ID: 90240

SMILES:
C(Cc1cc(O)c(C2C=C(C)CCC2C(CCCC(C)C)=C)c(O)c1)C1C(C)(C)CCC=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.734

CB1 binding score: -14.091

InChIKey:
DJEXNLWZJNNVSA-UHFFFAOYSA-N

ID: 90241

SMILES:
CC1=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: 90242

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1=C(C(C)(C)O2)CCC2C1(C)CCCC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -15.369

InChIKey:
RWNAZVMCWHTLTB-UHFFFAOYSA-N

ID: 90243

SMILES:
c1(C(O)OC2C(O)C(O)C(O)C(CO)O2)cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.483

CB1 binding score: -15.293

InChIKey:
PXOZFQDJZSXLEE-UHFFFAOYSA-N

ID: 90244

SMILES:
c12cc(CCCCC)ccc1OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -19.248

InChIKey:
ULSCPFQNHAPIEH-UHFFFAOYSA-N

ID: 90245

SMILES:
C(=C)(C)C(OC(C)=O)CCC(C)=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.53

CB1 binding score: -11.814

InChIKey:
BMCYXRWQWHZCRC-UHFFFAOYSA-N

ID: 90246

SMILES:
c1(O)c2c(c(CC(C(C)(O)C)=O)cc1O)OC(C)(C)C1C2C(O)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.449

CB1 binding score: -15.246

InChIKey:
FQWNTFVJWGGURP-UHFFFAOYSA-N

ID: 90247

SMILES:
c1cc(C(=O)C)cc2c1OC(C)(C)C1CCC(C)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.372

CB1 binding score: -18.637

InChIKey:
CSSBWYMQRRNADD-UHFFFAOYSA-N

ID: 90248

SMILES:
O1c2c(C(=O)C(C)C)c(O)cc(O)c2C2C=C(C)CCC2C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -18.957

InChIKey:
VIYAGNJWEOQORJ-UHFFFAOYSA-N

ID: 90249

SMILES:
CC1=CC2C(C(C)(C)Oc3c2c(OC)cc(O)c3C(C=C(C)C)=O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -16.126

InChIKey:
RLKNZRYFQNIUCA-UHFFFAOYSA-N

ID: 90250

SMILES:
c1(CCCCC)cc2c(c(O)c1C)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.265

InChIKey:
IMRYRVANNPGDBT-UHFFFAOYSA-N

ID: 90251

SMILES:
CC12CCCC(C)(C)C1=C(O)c1c(cc(CCCCC)c(C(=O)O)c1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -14.723

InChIKey:
SCGQLBNDSQABJP-UHFFFAOYSA-N

ID: 90252

SMILES:
C(C)(=CCc1c(-c2c(O)cc(CCCCC)c3c2OC(C)(C)C(Cl)C3)cccc1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 427.028

CB1 binding score: -12.366

InChIKey:
HOKXOYIPIVCXMZ-UHFFFAOYSA-N

ID: 90253

SMILES:
Oc1cc(C)cc(O)c1C1CC(C)=CCC1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 234.295

CB1 binding score: -13.828

InChIKey:
RKGOUMMZILHHPK-UHFFFAOYSA-N

ID: 90254

SMILES:
c1(CC=C(C)CC=CC(C)=C)c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.412

InChIKey:
BTOBCSBNWDHYQM-UHFFFAOYSA-N

ID: 90255

SMILES:
C1C(C)CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 90256

SMILES:
CC1=CCCC(C)=CCOc2c(O)cc(CC)cc21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -14.297

InChIKey:
SOFXSHHURYBEFM-UHFFFAOYSA-N

ID: 90257

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CC(OCC)C(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.564

CB1 binding score: -15.183

InChIKey:
YBHZDVLMOPTTDL-UHFFFAOYSA-N

ID: 90258

SMILES:
CC1(C)C2CCC(C)(OO)CC2c2c(O)cc(C(O)C(C)C)c(O)c2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.454

CB1 binding score: -15.264

InChIKey:
ZFPTYRLAVVWGFF-UHFFFAOYSA-N

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90238–90258 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