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Molecule Identifiers
Molecular Properties

ID: 131020

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -15.587

InChIKey:
IPIGTMJXYCYNQY-UHFFFAOYSA-N

ID: 131021

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(C)(CCC=C(CCC=C(C)C)C)OC1C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -15.19

InChIKey:
RPKGZKZAGVAVQN-UHFFFAOYSA-N

ID: 131022

SMILES:
Oc1c(C2C(C(C)=C)CC(Cl)C(CO)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.913

CB1 binding score: -17.1

InChIKey:
DDVLAWSWHZVNIO-UHFFFAOYSA-N

ID: 131023

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.479

InChIKey:
QHFVULIOBFWRAD-UHFFFAOYSA-N

ID: 131024

SMILES:
c12c(O)c(CC=C(C)C)c(OC)c(CCCCC)c1OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -16.708

InChIKey:
AQMQUAGKYBWHEJ-UHFFFAOYSA-N

ID: 131025

SMILES:
Oc1c(C(=O)O)c(CCCCC)cc2c1C1CC(C)(O2)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -16.502

InChIKey:
QQKHMQAUINFKKL-UHFFFAOYSA-N

ID: 131026

SMILES:
CC(=CCc1c(O)cc(CCCCC)cc1OC)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 131027

SMILES:
O1c2cc(C(C)C(CC)OC(=O)CCCCCC)cc(O)c2C2C(CCC(O)(C)COC2=O)C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 490.637

CB1 binding score: -15.748

InChIKey:
DZHPZRJMENIDIK-UHFFFAOYSA-N

ID: 131028

SMILES:
C1(C)C2C(C(O)C(C)=CC2)c2c(O)cc(CCC(O)C)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -16.502

InChIKey:
DYEBGQVLTOICJA-UHFFFAOYSA-N

ID: 131029

SMILES:
C1(=C)C2C(C3(C)Oc4c(c(O)cc(CO)c4C(C(C)CC)=O)C3OC2(C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -14.639

InChIKey:
HLNWHRPFUOGOLI-UHFFFAOYSA-N

ID: 131030

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 131031

SMILES:
C12C(C)(C)CCCC1(C)Cc1c(cc(CCCCC)cc1O)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -14.644

InChIKey:
OQGMXYCXOMBUKS-UHFFFAOYSA-N

ID: 131032

SMILES:
c1(OC)c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -18.277

InChIKey:
WJABVLUXMBMMIO-UHFFFAOYSA-N

ID: 131033

SMILES:
C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC(C)=O)(C)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -19.385

InChIKey:
ZHYBIDSAXVEAES-UHFFFAOYSA-N

ID: 131034

SMILES:
CC12CC3C(C)(C)Oc4cc(CCCCC)cc(c43)OC1CCCC2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -13.248

InChIKey:
RDQOMWMFCSYMIE-UHFFFAOYSA-N

ID: 131035

SMILES:
O(c1cc(CCCC)cc(CC=C(C)C)c1)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 232.367

CB1 binding score: -14.429

InChIKey:
NUFHCSUOIAJSTB-UHFFFAOYSA-N

ID: 131036

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)(O)CC1)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -16.136

InChIKey:
UXCOHKJNXOKFKB-UHFFFAOYSA-N

ID: 131037

SMILES:
C1(O)C(C)(C)Oc2cc(CCCCC)cc(OC)c2C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.419

CB1 binding score: -15.116

InChIKey:
VDUNFPVEVKQNSJ-UHFFFAOYSA-N

ID: 131038

SMILES:
c1(O)cc(C)c(C2C(C(=C)C)CCC2C)c(OC)c1CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.303

InChIKey:
IQQCSFDVYJYFCC-UHFFFAOYSA-N

ID: 131039

SMILES:
C(C1=C(OC(=O)C)CC(C)=CC1c1cc(CCCCC)cc(O)c1)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -14.578

InChIKey:
LUJVHTDEZZPAIX-UHFFFAOYSA-N

ID: 131040

SMILES:
C1(C(=CC(OC)=O)OCC)C(=O)CC(C(C)=C)C(c2c(O)cc(CCC)cc2O)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.552

CB1 binding score: -15.094

InChIKey:
AEQDMPYQEFVVSM-UHFFFAOYSA-N

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131020–131040 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