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Molecule Identifiers
Molecular Properties

ID: 138013

SMILES:
Brc1c(O)c2c(c(O)c1)C1C(CCC1(C)O)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 343.217

CB1 binding score: -16.502

InChIKey:
GALLZVCKEHUWSI-UHFFFAOYSA-N

ID: 138014

SMILES:
C12CCC(C)=CC1c1c(c(O)cc(CCCCC)c1)C(=O)C2(CC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -17.334

InChIKey:
CNLPTFDYORFNBJ-UHFFFAOYSA-N

ID: 138015

SMILES:
C1(C)=CC(C2=C(O)C(=O)C(C)=CC2=O)C(C(C)=C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -17.717

InChIKey:
UASKUOATZZTKNW-UHFFFAOYSA-N

ID: 138016

SMILES:
C1(CC=C(CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c32)C)OC(=O)C(=C)C1COC(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.633

CB1 binding score: -14.681

InChIKey:
KNZPTDKBPQWPTR-UHFFFAOYSA-N

ID: 138017

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: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 138018

SMILES:
Cc1c(OC)c(OC)c(C2C(C(C)=C)CCC(C)=C2)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -12.422

InChIKey:
DTWGDQPOCXULAN-UHFFFAOYSA-N

ID: 138019

SMILES:
C1C2C(c3c(O)c(O)cc(C(C(C)CC)OC(=O)C)c3OC3(C)C1C(C(C)=C)CC3)C=C(C)CC2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 498.66

CB1 binding score: -15.628

InChIKey:
TZOYDZRVTSVXOT-UHFFFAOYSA-N

ID: 138020

SMILES:
c1(O)c(C2CC(=C)CCC2C(C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.51

InChIKey:
ABUYMDYRFWRXCE-UHFFFAOYSA-N

ID: 138021

SMILES:
Oc1c(CC=C(CCC=C(C)C)C)c(OC)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 138022

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(C(C)=C)C3(O)C(C(=O)C(C)C1(C)CC3=O)CC(C(C)=C)O2)C(=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 508.655

CB1 binding score: -15.929

InChIKey:
HKUFLBYZRLPHBP-UHFFFAOYSA-N

ID: 138023

SMILES:
O=Cc1c2c(c(O)cc1CCC)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -16.895

InChIKey:
LJRPEALRNVLNAQ-UHFFFAOYSA-N

ID: 138024

SMILES:
C(CC)CCc1cc(O)c(C2C=C(C)C(=O)CC2C(C)C)c(C2=CC(=O)CCC2(C)C(CCC)O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 494.716

CB1 binding score: -14.426

InChIKey:
JJVNPKXKCWYDSH-UHFFFAOYSA-N

ID: 138025

SMILES:
C12(CC(C)C(C)=C1)C(C1CC(C)=CCC(C(C)=C)CC1)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.691

CB1 binding score: Not available

InChIKey:
CLSUQYSVPHUMAL-UHFFFAOYSA-N

ID: 138026

SMILES:
CC(C1CCC(C)=CC1c1c(CCCCC)cc(O)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.593

InChIKey:
RHRYIQNXICLAPT-UHFFFAOYSA-N

ID: 138027

SMILES:
C1CC(C(=C)C)C(c2c(O)cc(CCC)cc2O)CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.57

InChIKey:
LURPWARMGYBTPS-UHFFFAOYSA-N

ID: 138028

SMILES:
CC1=CC(c2c(O)cc(CCCCC)cc2OC)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 138029

SMILES:
CC1=CC(c2c(O)cc(CCCC(=O)O)cc2)C(C(=C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -16.037

InChIKey:
CCGKZRCRVBUISL-UHFFFAOYSA-N

ID: 138030

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -16.426

InChIKey:
ZEQICBNYNBVGGM-UHFFFAOYSA-N

ID: 138031

SMILES:
C1C(C)=CC2c3c(cc(CCCCC)cc3OC1)OC(C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -15.929

InChIKey:
VFRIKLKRDGJANJ-UHFFFAOYSA-N

ID: 138032

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)(O)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -16.328

InChIKey:
ANSQQWADWKWJDF-UHFFFAOYSA-N

ID: 138033

SMILES:
CC(C)(C1CCC(C)=CC1c1c(O)cc(CCC)cc1O)CCC(C)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.565

CB1 binding score: Not available

InChIKey:
WCNNETDPTRHIGQ-UHFFFAOYSA-N

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138013–138033 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