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Molecule Identifiers
Molecular Properties

ID: 60796

SMILES:
C(Cc1cc(O)c(C2C3OC(C(=O)O)(C)C3CC=C2C)cc1)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.369

CB1 binding score: -15.646

InChIKey:
MRIWVEMMMWTDSP-UHFFFAOYSA-N

ID: 60797

SMILES:
O=C1C(C)=CCC2(C1)C(C(=C)C)C1c3c(O)c(C(=O)O)c(CCCCC)cc3OC1(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.591

CB1 binding score: -15.929

InChIKey:
SHMIYPUNOPMCFC-UHFFFAOYSA-N

ID: 60798

SMILES:
c12c(O)c3c(cc1C(C)OC(=O)C3)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.408

CB1 binding score: -13.827

InChIKey:
IFSBCDZBGDOFFX-UHFFFAOYSA-N

ID: 60799

SMILES:
C1C2C(CC=C2C)C(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.723

InChIKey:
WKFVIMFNRJVSJG-UHFFFAOYSA-N

ID: 60800

SMILES:
CC(C)C(OCC1(O)CCC2C(C1)c1c(O)cc(CCCCC)cc1OC2(C)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.574

CB1 binding score: -15.563

InChIKey:
URNUXGCDPSOILA-UHFFFAOYSA-N

ID: 60801

SMILES:
c12c(O)cc(CCCCC)cc1OC(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: 60802

SMILES:
Cc1c(OC(C)=O)cc2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.09

InChIKey:
VRLQFCGSEVLEBC-UHFFFAOYSA-N

ID: 60803

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 374.521

CB1 binding score: -19.567

InChIKey:
RSOBBJCWWQRAAM-UHFFFAOYSA-N

ID: 60804

SMILES:
CCCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 60805

SMILES:
C1CC2Oc3c(c(O)cc(CCC)c3)CC2(C)C(C)(O)C1=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -14.298

InChIKey:
QLSAEDDXFHCXDT-UHFFFAOYSA-N

ID: 60806

SMILES:
C(c1ccccc1)OC(=O)c1c(OCCCCC)cc2c(c1)OC(C)(C)C1=C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 446.587

CB1 binding score: -15.047

InChIKey:
WMBMDXRWCBJAHR-UHFFFAOYSA-N

ID: 60807

SMILES:
C1(c2c(O)cc(CCCCC)cc2O)C(=C(C)C)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.089

InChIKey:
MXHIJQHAYHJSTF-UHFFFAOYSA-N

ID: 60808

SMILES:
C1(C)(C)C=Cc2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -20.081

InChIKey:
XLSYFQOJMWXOCT-UHFFFAOYSA-N

ID: 60809

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CC(O)C(C)=CC12)CC=C(C)CCC1(C)C(C)=CC(=O)CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 492.7

CB1 binding score: -15.955

InChIKey:
WVACILLCBMAOCL-UHFFFAOYSA-N

ID: 60810

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -14.107

InChIKey:
AKHNHGBPPNFLCF-UHFFFAOYSA-N

ID: 60811

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(COC(C)=O)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -19.773

InChIKey:
ILHSUWMZKIAMCQ-UHFFFAOYSA-N

ID: 60812

SMILES:
C(CCCC)Cc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.354

InChIKey:
LOTJAJIHOKJTOT-UHFFFAOYSA-N

ID: 60813

SMILES:
C(C)CCCCc1cc2c(c(O)c1)C1(O)C(O)(C(O)C(C)(C)O1)C(C)(C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.492

CB1 binding score: -15.691

InChIKey:
SJILYTIXAVTQBN-UHFFFAOYSA-N

ID: 60814

SMILES:
c1(CCCC)c(O)c(C2C=C(C)CCC2C(=C)C)c(O)c2c1cc(O)cc2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: -16.068

InChIKey:
QBBVYPZSQRHKHR-UHFFFAOYSA-N

ID: 60815

SMILES:
c1(O)cc(CCCC)cc2c1OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.879

InChIKey:
IXZUQKJFDLWXNQ-UHFFFAOYSA-N

ID: 60816

SMILES:
Oc1cc(CCCCC)cc2c1C1C(C(=C)C)CCC(C)(O2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.198

InChIKey:
NUXUDGMVYZUFNQ-UHFFFAOYSA-N

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60796–60816 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