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Molecule Identifiers
Molecular Properties

ID: 131776

SMILES:
C(C)(CCC=C(C)C)=CCc1c(O)cc(CCCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -17.784

InChIKey:
QPUHYZGLKQWEKI-UHFFFAOYSA-N

ID: 131777

SMILES:
C1c2c(cc(C(O)CCCC)cc2O)C(O)C1C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -13.256

InChIKey:
WHCUGLUQAWDEHH-UHFFFAOYSA-N

ID: 131778

SMILES:
C1(C)=CC(c2c(O)cc(O)cc2CC2(C)CCCC2(C)C)C(C(C)=C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -14.751

InChIKey:
QBIJMSWRQBAODC-UHFFFAOYSA-N

ID: 131779

SMILES:
c1(CC=C(C)CCC=C(C)C)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 131780

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC(O)C(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.962

InChIKey:
MVBUZUVPKJXXNR-UHFFFAOYSA-N

ID: 131781

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 131782

SMILES:
c12c(cc(CCCCC)cc1OC)OC(C)(C)c1ccc(C(O)=O)cc1C2OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.499

CB1 binding score: -12.671

InChIKey:
TVECVTSPEYKXJQ-UHFFFAOYSA-N

ID: 131783

SMILES:
C(CC)Cc1c(O)cc2c(c1O)C=CC(C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.322

CB1 binding score: -15.891

InChIKey:
YQYHUBGHKKTUED-UHFFFAOYSA-N

ID: 131784

SMILES:
O=C(OC)C1C(OC(CCc2cccc(O)c2)=O)C(OC=O)C(C2(C)C(CC=C(C)C)O2)(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 474.55

CB1 binding score: Not available

InChIKey:
PIQBUFTWRFZOFO-UHFFFAOYSA-N

ID: 131785

SMILES:
C1CC(C(C)(C)OC)C(c2cc(CCCCC)ccc2O)C1C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -16.618

InChIKey:
BZVCDXRQGXQOJZ-UHFFFAOYSA-N

ID: 131786

SMILES:
C(Cc1cc(C2CCC(C(=C)C)CC2)cc(O)c1)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.432

CB1 binding score: -13.66

InChIKey:
WZFAOXWMOZQPNL-UHFFFAOYSA-N

ID: 131787

SMILES:
c1cc(O)c(C2C=C(CO)CCC2C(C)=C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -16.757

InChIKey:
JYHWEDCOVQGMIV-UHFFFAOYSA-N

ID: 131788

SMILES:
CC(=O)OC1c2c(c(O)cc(CCCCC)c2)C2CC(C)(CC=CC(C)(OC)C)C3(C(C)C1)CCC2O3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 512.731

CB1 binding score: -14.534

InChIKey:
HJNAHWXJEWAHGY-UHFFFAOYSA-N

ID: 131789

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2CC(C)CCC2C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 131790

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.431

InChIKey:
YOPNEMNEITVXDO-UHFFFAOYSA-N

ID: 131791

SMILES:
c12c(OC)ccc(O)c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -18.156

InChIKey:
CFNQSLBQTVASCD-UHFFFAOYSA-N

ID: 131792

SMILES:
Cc1cc2c(cc1O)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -19.623

InChIKey:
MUNXTPXTGBOZLU-UHFFFAOYSA-N

ID: 131793

SMILES:
c1c(C(C)(C)C)c(C)cc2c1CC1C(C)(O2)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -14.287

InChIKey:
WKKGYXWADDATGQ-UHFFFAOYSA-N

ID: 131794

SMILES:
C(Oc1cc(C=O)c(O)c2c1C1(C)C3C(C)(C(O)CC1C(C)(C)Oc1cc(CCCCC)cc(O)c12)O3)(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 540.609

CB1 binding score: -14.286

InChIKey:
UPAJWCVLTBHVKD-UHFFFAOYSA-N

ID: 131795

SMILES:
Oc1c(C2C(C(=C)C)CCC(C)=C2)c(O)c(C(CCCC)=O)c(O)c1CC=C(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 480.689

CB1 binding score: -13.724

InChIKey:
ARRTYMFKDWCUSJ-UHFFFAOYSA-N

ID: 131796

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -15.522

InChIKey:
YJAILDDYYHRKCO-UHFFFAOYSA-N

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131776–131796 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