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Molecule Identifiers
Molecular Properties

ID: 141247

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)CC12)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -18.987

InChIKey:
QYNCMPYNYFYQFE-UHFFFAOYSA-N

ID: 141248

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 141249

SMILES:
C(C(=O)OC)(c1cc(CC=C(C)C)c(O)c(C2C=C(C)CCC2C(C)=C)c1O)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.499

CB1 binding score: -14.749

InChIKey:
CBPXPANVIRJELZ-UHFFFAOYSA-N

ID: 141250

SMILES:
C1C(C(=C)C)C(c2c(O)cc(CCC)cc2O)CC(C)(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.888

InChIKey:
XRVSXBLYAUVVFC-UHFFFAOYSA-N

ID: 141251

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 141252

SMILES:
C(CCCC)Cc1cc2c(c(O)c1C=O)C1CC(C(=C)C)CCC(C)(O2)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -15.302

InChIKey:
NFWWOJMEYSZTNT-UHFFFAOYSA-N

ID: 141253

SMILES:
c12ccccc1c(CC=C(C)C)c(C1C=C(C)CCC1C(C)=C)c(O)c2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.514

CB1 binding score: -15.369

InChIKey:
BBEGLPVBQNRDOG-UHFFFAOYSA-N

ID: 141254

SMILES:
c1c(C2C(=O)NC(C)C(=NN=O)C2)c(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 397.475

CB1 binding score: -11.593

InChIKey:
DQVCCXLDDGNWFG-UHFFFAOYSA-N

ID: 141255

SMILES:
c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 141256

SMILES:
c1(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 141257

SMILES:
c1c(O)c(CC=C(CCC=C(C)CCC=C(C)C)C)c(O)cc1CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 342.523

CB1 binding score: -18.238

InChIKey:
JDHVKMUCXDUDSU-UHFFFAOYSA-N

ID: 141258

SMILES:
C1CC(C)=CC(c2c(O)cc(CCC)cc2O)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 141259

SMILES:
c1(OC)c(C2C(C(C)=C)CCC(=C)C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.222

InChIKey:
DSUXVZBHDVXIIS-UHFFFAOYSA-N

ID: 141260

SMILES:
C1C(C)C2C(C=C(C)CC2)c2c(O)cc(CCCCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -16.949

InChIKey:
QNRSRQLQOLFRRN-UHFFFAOYSA-N

ID: 141261

SMILES:
C1=CC(C)CC(c2c(O)cc(CCC)cc2OC)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -15.634

InChIKey:
XUBDMTMGBBZEAC-UHFFFAOYSA-N

ID: 141262

SMILES:
C1C(C(=C)C)C(c2c(O)cc(CCC)cc2O)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 141263

SMILES:
C(C)C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -14.721

InChIKey:
GKKNQFSDDGUJTA-UHFFFAOYSA-N

ID: 141264

SMILES:
C1C2C(C(=O)C(CCC(C)C)=C1)c1c(cc(O)c(O)c1)OC2(CCCC(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -14.157

InChIKey:
ALFGDCCJTGVECU-UHFFFAOYSA-N

ID: 141265

SMILES:
C(NC(C(C)CC)=O)Oc1c(C(=O)OC)c2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 431.529

CB1 binding score: -14.311

InChIKey:
PLOQEVPRBRXIRN-UHFFFAOYSA-N

ID: 141266

SMILES:
C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 141267

SMILES:
C1=CC(C)(C)Oc2c1ccc(CCCC(C)=C)c2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -15.145

InChIKey:
GANFHKBDEYKTRZ-UHFFFAOYSA-N

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141247–141267 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