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Molecule Identifiers
Molecular Properties

ID: 71422

SMILES:
C1(C)(C)CC(O)C=C(C)C1c2cc(CCCCC)cc(O)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -14.067

InChIKey:
RUIWORCONGYEGY-UHFFFAOYSA-N

ID: 71423

SMILES:
c1(CCCCC)cc2c(c(O)c1)C=CC(C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -20.081

InChIKey:
XLSYFQOJMWXOCT-UHFFFAOYSA-N

ID: 71424

SMILES:
C(C)(C(c1c(O)cc(C)c2c1OC(CCC=C(C)C)(C)C=C2)(C)C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.66

InChIKey:
ZIFNNKCJTOXCCP-UHFFFAOYSA-N

ID: 71425

SMILES:
C(CCC(C(O)=O)=CCCC1(C)Oc2c(c(OC)cc(CCCCC)c2)CC1)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -15.026

InChIKey:
DUHXUMKNODPINC-UHFFFAOYSA-N

ID: 71426

SMILES:
C1CC(C)C(c2c(O)cc(CCCCC)cc2O)C(CCCO)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.554

CB1 binding score: -15.503

InChIKey:
RMEZCSGKLBERSW-UHFFFAOYSA-N

ID: 71427

SMILES:
CC(C)=CCCC(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 71428

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2OC12C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -16.591

InChIKey:
JEYBYXBIUFVIJP-UHFFFAOYSA-N

ID: 71429

SMILES:
C(CCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C(=O)O)C1)c1c(O)c2c(C=NC)c(O)c(O)c(C(C)CC)c2cc1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 629.794

CB1 binding score: -16.943

InChIKey:
MAYLUCMPVNNTCF-UHFFFAOYSA-N

ID: 71430

SMILES:
C(CCCc1cc2c(c(O)c1)C1(O)C(CC=C(C)C)(C2=O)OC(C)C1)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -12.229

InChIKey:
VURXETUMXDVWFA-UHFFFAOYSA-N

ID: 71431

SMILES:
C(CCC(O)(C)C#C)(c1c(O)cc(CCCCC)cc1OCC)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -16.485

InChIKey:
GDFMZIKVUBTVTJ-UHFFFAOYSA-N

ID: 71432

SMILES:
C12CC(C)CC(O)C1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.876

InChIKey:
LVNFKVCNQYPBTD-UHFFFAOYSA-N

ID: 71433

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)(O)CC21)CCCCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.619

CB1 binding score: -17.469

InChIKey:
BCDHFLPHCWOBFX-UHFFFAOYSA-N

ID: 71434

SMILES:
CCCCCc1c(O)c2c(cc1O)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.486

InChIKey:
YKRBPTBTDKTTOB-UHFFFAOYSA-N

ID: 71435

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 71436

SMILES:
c1(O)cc(C)cc(O)c1C1CC(C)=CC(c2c(O)cc(CCCCC)cc2O)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.592

CB1 binding score: Not available

InChIKey:
MDJMFQAAHCUPLY-UHFFFAOYSA-N

ID: 71437

SMILES:
Oc1cc(CCCC)cc2c1C1(O)C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.008

InChIKey:
LPVNWAUOYSRQTG-UHFFFAOYSA-N

ID: 71438

SMILES:
C(CCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C(O)=O)=CC1C2=O)CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.623

CB1 binding score: -14.744

InChIKey:
LEBGZUKPGXQJMO-UHFFFAOYSA-N

ID: 71439

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C(CCC=C(C)C)(C)O)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -19.964

InChIKey:
CMQSOKMVOYLKLN-UHFFFAOYSA-N

ID: 71440

SMILES:
C1(c2c(O)cc(CCCCCO)cc2OC(C)=O)(C)CCC(C(C)C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.482

CB1 binding score: -17.093

InChIKey:
DEXZRQYXLVHYDN-UHFFFAOYSA-N

ID: 71441

SMILES:
CCCCCc1cc(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: 71442

SMILES:
C1(C(C)=C)=CCC(C)=CC1c1c(O)cc(CC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.372

CB1 binding score: -16.62

InChIKey:
SQBDCXLOYMRHAB-UHFFFAOYSA-N

3399340034013402340334043405
71422–71442 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