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Molecule Identifiers
Molecular Properties

ID: 8338

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C(C(C)CCC=C(C)C)=CC(=O)C12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -15.514

InChIKey:
GLFJWHOUQYKFNI-UHFFFAOYSA-N

ID: 8339

SMILES:
CC1=CC2C(CC1)C(C)(C)Oc1c2c(O)ccc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.988

InChIKey:
FDECQIAQAVZRFF-UHFFFAOYSA-N

ID: 8340

SMILES:
c1(O)c2c(cc(C(CCCC(C)C(=O)C=C(C)C)C)c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.625

CB1 binding score: -15.916

InChIKey:
SPCJXYLRQQJBSX-UHFFFAOYSA-N

ID: 8341

SMILES:
C(CCc1cc2c(c(O)c1)C1C(C(C)(O)CO)CCC(C)(O2)C1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -15.977

InChIKey:
VZPHUIRXRJKYHE-UHFFFAOYSA-N

ID: 8342

SMILES:
C1C(C)(C)C=CCCC2(C)OCC(CO)(O)C1Oc1c(c(O)cc(CCCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 432.601

CB1 binding score: -15.692

InChIKey:
MCQCZKPHUYAADU-UHFFFAOYSA-N

ID: 8343

SMILES:
C12C(C)(CCCC1(O)C)Oc1cc(CCCCC)cc(O)c1C2C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -15.929

InChIKey:
MZZHIVKIQVEGBW-UHFFFAOYSA-N

ID: 8344

SMILES:
C(CCc1cc2c(c(O)c1)C1C(O2)C(C)(O)CCC1(C)C)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.008

InChIKey:
ZZNUZYSQHNNDTH-UHFFFAOYSA-N

ID: 8345

SMILES:
C1=C(C)CCC=C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3O)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -13.03

InChIKey:
WJTRXHYKIVZCSW-UHFFFAOYSA-N

ID: 8346

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 8347

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 8348

SMILES:
O=C1C(C(C)C)C2C(C)(C(c3c(O)c(C(O)=O)c(CCCCC)cc3O)C=C(C)CC2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.596

CB1 binding score: -15.05

InChIKey:
LLRGGBSASLUETG-UHFFFAOYSA-N

ID: 8349

SMILES:
c1c(C)cc2c(c1)C(C)(C)Oc1c-2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 8350

SMILES:
CC(C)C12C(CC(C)C1O)c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -14.018

InChIKey:
MZSZVOUVKCPWMP-UHFFFAOYSA-N

ID: 8351

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)C(OC(=O)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -16.49

InChIKey:
HKDZEXWVECJGOY-UHFFFAOYSA-N

ID: 8352

SMILES:
O(c1c(CC=C(C)C)c(O)cc(CCCCC)c1)C(C)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -18.614

InChIKey:
RTFRSXSQUQOXEP-UHFFFAOYSA-N

ID: 8353

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C(O)=O)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -20.052

InChIKey:
YOVRGSHRZRJTLZ-UHFFFAOYSA-N

ID: 8354

SMILES:
C(C(c1c(OC(=O)C)c(OC(=O)C)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.623

CB1 binding score: -13.699

InChIKey:
ACCSMRXPOJCPKE-UHFFFAOYSA-N

ID: 8355

SMILES:
C1(C)(CCC(=CC(O)C2C(C)(C)O2)C)C=Cc2c(cccc2O)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -16.806

InChIKey:
KEZBGXDNNKFUIW-UHFFFAOYSA-N

ID: 8356

SMILES:
C1=CC(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -20.121

InChIKey:
PJBASZVNRDGSFZ-UHFFFAOYSA-N

ID: 8357

SMILES:
c1(O)cc(C)cc2c1C(C)(C)Oc1cc(CC=C(C)CCC=C(C)C)c(O)cc1C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.566

CB1 binding score: -12.758

InChIKey:
MCVKPNSYAANGQS-UHFFFAOYSA-N

ID: 8358

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -17.123

InChIKey:
RHLHLVYPGSQERK-UHFFFAOYSA-N

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8338–8358 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