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Molecule Identifiers
Molecular Properties

ID: 101788

SMILES:
Cc1cccc2c1C(=O)C1C=C(C)C(O)CC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -15.208

InChIKey:
WGMIULPIYBIOAV-UHFFFAOYSA-N

ID: 101789

SMILES:
c1(O)cc(CCC)cc2c1C1C=C(C)CC(O)C1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.864

InChIKey:
PSWXFXMSIZPJHY-UHFFFAOYSA-N

ID: 101790

SMILES:
CC(OC1C(C(C)C(CC=C(C)C)=O)C(c2c(O)cc(CCCCC)cc2OC)CC(C)=C1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.65

CB1 binding score: -15.367

InChIKey:
UFRNMXDIMYZAQK-UHFFFAOYSA-N

ID: 101791

SMILES:
C(CCC1(C)C=Cc2c(O)cc(C(=O)O)c(CCCCC)c2O1)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -17.801

InChIKey:
JMBUSKBXFCKTGD-UHFFFAOYSA-N

ID: 101792

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: 101793

SMILES:
C1=C(C)CC2C(C(C)(C)Oc3c2c(O)cc(C)c3)C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -16.936

InChIKey:
KIJSLTZCBFVFLB-UHFFFAOYSA-N

ID: 101794

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -17.086

InChIKey:
JTNXKCXODVSTAX-UHFFFAOYSA-N

ID: 101795

SMILES:
O(c1c2c(c(C(OC)=O)c(CCCCC)c1)OC(C)(C)CC2COC(=O)c1ccc(O)cc1OC)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 500.588

CB1 binding score: -15.866

InChIKey:
KPBAORFOYBPKNX-UHFFFAOYSA-N

ID: 101796

SMILES:
S(O)(=O)(=O)c1cc(C)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.453

CB1 binding score: -15.868

InChIKey:
NLGBRLQEZVVLRV-UHFFFAOYSA-N

ID: 101797

SMILES:
C1(C(C)(C)O)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: 101798

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC(O)C1(O)C2C(O)CCC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.574

CB1 binding score: -13.99

InChIKey:
SNWBJIZEDHXXME-UHFFFAOYSA-N

ID: 101799

SMILES:
C1(C(C)(O)C)C(c2c(O)cc(C)cc2O)CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -17.177

InChIKey:
CIAXKIJLIZPEKU-UHFFFAOYSA-N

ID: 101800

SMILES:
C1CC(C)=CC(c2c(O)cc(C)cc2O)C12Oc1c(c(O)c(C=O)c(O)c1C=O)CC(C(=C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 480.513

CB1 binding score: -17.384

InChIKey:
DQXSOCCROJZFRT-UHFFFAOYSA-N

ID: 101801

SMILES:
C=Cc1cc(O)c2c(c1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.372

CB1 binding score: -15.628

InChIKey:
JUUWKJLWMDFFSC-UHFFFAOYSA-N

ID: 101802

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C=O)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.053

InChIKey:
HQRKNUDGMPVIMO-UHFFFAOYSA-N

ID: 101803

SMILES:
C1C(C)=CC(c2c(O)cc(CCCCCC)cc2O)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.609

InChIKey:
HAKUWGCTBUVNJQ-UHFFFAOYSA-N

ID: 101804

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 101805

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C(=O)C(=C)OC1C1OC21C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.381

CB1 binding score: -16.175

InChIKey:
ZUCXINRJOPFDPH-UHFFFAOYSA-N

ID: 101806

SMILES:
C1=C(CC=C(C)C)C(=O)C2=C(C1=O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -15.526

InChIKey:
NMZFXFPZDXMUFH-UHFFFAOYSA-N

ID: 101807

SMILES:
C1C(C=C(C)C)Oc2cc(CCCCC)cc(O)c2C1C(C(=CCCC=C(C)C)C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.641

CB1 binding score: -16.379

InChIKey:
VWPUGQUPOBAXGT-UHFFFAOYSA-N

ID: 101808

SMILES:
C1(C(C)C)C2C(c3c(cc(CCCCC)cc3O)O1)C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -12.717

InChIKey:
AUUJWDYGBQAPBT-UHFFFAOYSA-N

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101788–101808 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