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Molecule Identifiers
Molecular Properties

ID: 92317

SMILES:
C12(C)Oc3c(c(O)cc(CCCCC)c3)C(C(C(=C)C)CC1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.078

InChIKey:
YZQTVMSDGCKDQL-UHFFFAOYSA-N

ID: 92318

SMILES:
C1C(C(C)C)C2C(C(C)=C1)c1c(cc(CCCCC)c(C(=O)OC)c1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -14.083

InChIKey:
MRWNQSCARXXJCW-UHFFFAOYSA-N

ID: 92319

SMILES:
C1(O)(C)CC2C(C(C)(C)Oc3c2c(OC)cc(CCCCC)c3OC)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.537

CB1 binding score: -16.188

InChIKey:
MDZZTHJLSNOPCP-UHFFFAOYSA-N

ID: 92320

SMILES:
c1(C)c(C2C(C(C)=C)C(C=C)(C)CC2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.524

CB1 binding score: -15.907

InChIKey:
LIMWSRWLZXORBW-UHFFFAOYSA-N

ID: 92321

SMILES:
CC(C)=CCCC1(C)Oc2c(c(O)cc(C(=O)CC(C)C)c2)C2CC(C)=CC(=O)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -14.856

InChIKey:
FZVAIUITWQOZOU-UHFFFAOYSA-N

ID: 92322

SMILES:
c1(CCCCC)c2c(O)c(Cc3c(O)c(O)c(O)c(C(C)C)c3cc1C)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 508.699

CB1 binding score: Not available

InChIKey:
VAJBBTAYCGULRU-UHFFFAOYSA-N

ID: 92323

SMILES:
c12cc(OCCC)ccc1OC(C)(C)C1C2C(O)C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -17.191

InChIKey:
FUHLULCXCZQPJP-UHFFFAOYSA-N

ID: 92324

SMILES:
C1(C)(C)C2C(c3c(O)cc(CCCCC)cc31)CC(C)=CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -17.334

InChIKey:
YNNFYMQFHNFBDP-UHFFFAOYSA-N

ID: 92325

SMILES:
c1c(C2C(C(C)CCC=C(C)C)=C(C)CC2)c(O)c(C(CC(C)C)=O)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -14.684

InChIKey:
VTAMXUPRAGBEJU-UHFFFAOYSA-N

ID: 92326

SMILES:
CC(C)C(c1c(O)c2c(c(C=O)c1)OC(C)(C)C1CCC(C)=CC12)CC=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: Not available

InChIKey:
UUBBJQICZIZINU-UHFFFAOYSA-N

ID: 92327

SMILES:
C1(O)OC2C(O)C3(CO3)C13c1c(cc(CCCCC)cc1O3)OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.422

CB1 binding score: -14.606

InChIKey:
NIXVUMBWNQFAKX-UHFFFAOYSA-N

ID: 92328

SMILES:
O=Cc1c(O)c2c(cc1CCCCC)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.98

InChIKey:
HKQTWYXNIOJLSJ-UHFFFAOYSA-N

ID: 92329

SMILES:
c1(O)cc(CCOC(C)=O)cc(O)c1CC=C(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -17.59

InChIKey:
WRDVKVLYPPJQJW-UHFFFAOYSA-N

ID: 92330

SMILES:
c1(O)cc(CCCCC)c2c(c1)C(c1ccccc1)=CC(C)(CCC=C(CCC=C(C)C)C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 458.686

CB1 binding score: -16.353

InChIKey:
IIPYMDANVGZCPS-UHFFFAOYSA-N

ID: 92331

SMILES:
C1=C(C)CCC2C(C(C)(C)Oc3cc(O)cc(O)c32)CCC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.371

InChIKey:
MKURMNWQDGNZLT-UHFFFAOYSA-N

ID: 92332

SMILES:
c1cc(OC)c(C2C=C(C)CCC2C(=C)C)c(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -18.254

InChIKey:
PQUUPRBCSBEMCT-UHFFFAOYSA-N

ID: 92333

SMILES:
C(CCCC)Cc1cc2c(c(O)c1)C=CC(CCC=C(C)C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.458

InChIKey:
LZFSGTNLAZDDKK-UHFFFAOYSA-N

ID: 92334

SMILES:
c1(O)cc2c(cc1)OC(C)(C)C1CCC(C)=CC(O)C21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -15.717

InChIKey:
NNMNGOKLASIJJM-UHFFFAOYSA-N

ID: 92335

SMILES:
CC1=CC2C(O)(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -17.123

InChIKey:
XLLPVVUETGVXFF-UHFFFAOYSA-N

ID: 92336

SMILES:
C1(C)=CC(c2ccc(CCCCC)cc2)C(C(O)(C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -18.046

InChIKey:
MXECOWWPQRFPTG-UHFFFAOYSA-N

ID: 92337

SMILES:
C1C(C)=CCC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.15

InChIKey:
FXRYFSBEEDYORZ-UHFFFAOYSA-N

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92317–92337 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