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Molecule Identifiers
Molecular Properties

ID: 132322

SMILES:
c1(CCCCC)c(C(=O)O)c(O)c2c(c1)C1CC(C(C)C)=CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -11.804

InChIKey:
XILGEDUFPQNZBT-UHFFFAOYSA-N

ID: 132323

SMILES:
c12c(cc(C)c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.07

InChIKey:
JAQQPODSAWTCBC-UHFFFAOYSA-N

ID: 132324

SMILES:
C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -20.193

InChIKey:
JBVDVYKKJWEHPH-UHFFFAOYSA-N

ID: 132325

SMILES:
C(CCCC)c1cc(O)c2c(c1C=O)OC(C)(CCC=C(C)C)C=CC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -14.934

InChIKey:
BLBHQDABNKBUTI-UHFFFAOYSA-N

ID: 132326

SMILES:
C1C2C(C)CCC23C(C)(O)CCC2C1C3C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.641

CB1 binding score: -15.562

InChIKey:
PQKYSDREVDBAIF-UHFFFAOYSA-N

ID: 132327

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 132328

SMILES:
C1(OC(C)=O)(C)C2C(C)(C)CC3C1(CC2Cc1ccc(O)c(OC)c1)Oc1c3c(O)cc(CCCCC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 522.682

CB1 binding score: -15.507

InChIKey:
CAYRLXQJLAJNTO-UHFFFAOYSA-N

ID: 132329

SMILES:
C=C(C1C(C2C(O)c3cc(O)ccc3OC2(C)C)C(C)CC1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.524

InChIKey:
OALXBFMKRBCPDB-UHFFFAOYSA-N

ID: 132330

SMILES:
c1(C(O)c2cc(O)cc(OC)c2)cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.483

CB1 binding score: -16.674

InChIKey:
DDXGZUSLDQIDSP-UHFFFAOYSA-N

ID: 132331

SMILES:
CC(=CCCC(=CCc1c(O)cc(CCC)cc1O)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 132332

SMILES:
CC(C1CCC(C)CC1c1c(O)cc(CCCCC)cc1OC(C)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -18.271

InChIKey:
UODLHUGHESMPTP-UHFFFAOYSA-N

ID: 132333

SMILES:
c1(OC)c(C)cc(O)cc1CCc1cc(O)c2c(c1)OC(C)(C)C1C=C=C(C)CCC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.549

CB1 binding score: -15.714

InChIKey:
JCQGXFUQNOOGOQ-UHFFFAOYSA-N

ID: 132334

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 132335

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C(=O)O)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -18.745

InChIKey:
VRZWHTKBFZGYJJ-UHFFFAOYSA-N

ID: 132336

SMILES:
C(=C(C)C)CCC(C)=CCC1C(=O)c2c(cc(CCCCC)cc2O)OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.777

InChIKey:
GMLZYUKHDNJDJH-UHFFFAOYSA-N

ID: 132337

SMILES:
OC(c1cc(O)c(C2C=C(C)CC=C2C(C)=C)c(O)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -13.295

InChIKey:
LQBDUQWGOKEWCL-UHFFFAOYSA-N

ID: 132338

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -16.087

InChIKey:
CIXJDQDASYRJHS-UHFFFAOYSA-N

ID: 132339

SMILES:
C(C)(=CCCC(=CCc1c2c(cc(-c3c(O)cc(CCCCCC)cc3O)c1)OC1(C)CCCC21C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 516.766

CB1 binding score: -15.562

InChIKey:
AKMYUIOKTXRERW-UHFFFAOYSA-N

ID: 132340

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.677

InChIKey:
YWEZXUNAYVCODW-UHFFFAOYSA-N

ID: 132341

SMILES:
c1cc2c(c(O)c1)-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.409

CB1 binding score: -16.962

InChIKey:
JCKRZCURENOWPG-UHFFFAOYSA-N

ID: 132342

SMILES:
C(O)(=O)c1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -19.351

InChIKey:
UCONUSSAWGCZMV-UHFFFAOYSA-N

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132322–132342 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