Browse

Molecule Identifiers
Molecular Properties

ID: 116005

SMILES:
C(C1(O)CCC2C1Cc1c(O)c(OC)c(O)cc1OC2(C)C)(CC(CCC=C(C)C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 446.628

CB1 binding score: -14.782

InChIKey:
ZJJDFTZWSYFEIA-UHFFFAOYSA-N

ID: 116006

SMILES:
c1(O)c(CC=C(CCC=C(C)C)C)cc(O)cc1CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.748

InChIKey:
VRXKPPYOGGSRFK-UHFFFAOYSA-N

ID: 116007

SMILES:
C(CC=C(C)C)C(C)=CCc1c(OC)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 116008

SMILES:
c1(OC)c2c(cc(C)c1)OC(CCC=C(C)C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.372

InChIKey:
VRVBUCRQGHWYCT-UHFFFAOYSA-N

ID: 116009

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(C(=C)CCC=C(C)CCC2C(C)=C)OC(C)(C)C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.68

CB1 binding score: -15.027

InChIKey:
DQSCOQYPRAYUNS-UHFFFAOYSA-N

ID: 116010

SMILES:
C(C)c1c(O)c2c(c(OC)c1)C1C=C(C)C(=O)CC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -14.79

InChIKey:
SXZKRDUSJBRREY-UHFFFAOYSA-N

ID: 116011

SMILES:
c1(C=Cc2ccc(O)c(CC=C(CCC=C(CCC=C(C)CO)C)C)c2O)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 534.737

CB1 binding score: -15.306

InChIKey:
KRMNTROIMQRNKO-UHFFFAOYSA-N

ID: 116012

SMILES:
C(=C(CCC=C(C)CCC=C(C)C)C)Cc1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 384.604

CB1 binding score: -20.123

InChIKey:
WYEFRBILENQYOH-UHFFFAOYSA-N

ID: 116013

SMILES:
c12c(cc(OC)c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.112

InChIKey:
OTSLLDNPLNAKHW-UHFFFAOYSA-N

ID: 116014

SMILES:
Oc1c2c(cc(C)c1)OC(CC=C(CCC=C(C)C)C)C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -15.584

InChIKey:
BIGFDWGOWGSSFT-UHFFFAOYSA-N

ID: 116015

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C2=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 232.323

CB1 binding score: -15.929

InChIKey:
NEVNSUOTGFZCCL-UHFFFAOYSA-N

ID: 116016

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -18.748

InChIKey:
UHRCXKCSCBRZGD-UHFFFAOYSA-N

ID: 116017

SMILES:
C12(C)Oc3cc(CC=CCCCCCCCCC)c(OC(=O)C(C)C)c(O)c3C1OC1C(C(OC)=O)=CCCC(C)=CC1O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 610.788

CB1 binding score: -13.6

InChIKey:
MAXUYABBSXIMMW-UHFFFAOYSA-N

ID: 116018

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.407

CB1 binding score: -14.711

InChIKey:
FTKMWRUYYSMYDE-UHFFFAOYSA-N

ID: 116019

SMILES:
C12C(C=C(C)CC1)c1c(O)cc(CCCCC)cc1OC(C)(C)C2CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -16.956

InChIKey:
RVICGRRREWDKAP-UHFFFAOYSA-N

ID: 116020

SMILES:
C(c1c(O)c(CC=C(C)CCC=C(C)C)c(O)c(O)c1)C1C(=C(C)C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -12.351

InChIKey:
VLXTVUGTOKNDKI-UHFFFAOYSA-N

ID: 116021

SMILES:
c1(CC2CCC(C)(C)C2)c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.669

CB1 binding score: -12.706

InChIKey:
RSJIXRFKLDAXQE-UHFFFAOYSA-N

ID: 116022

SMILES:
c1(O)cc(C)c(C2C=C(C)CCC2C(C)=C)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -17.282

InChIKey:
CYXAQFLGANZUTR-UHFFFAOYSA-N

ID: 116023

SMILES:
C1C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 116024

SMILES:
C1CC2(C)Oc3cc(C)cc(O)c3C(O)C2C(C(=C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -19.549

InChIKey:
HSISLIFTUWMWHQ-UHFFFAOYSA-N

ID: 116025

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1Cc3c(OC)cc(OC)c(C)c3OC12C)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.553

CB1 binding score: -16.445

InChIKey:
PECRUQCIUOHOMF-UHFFFAOYSA-N

◀5522552355245525552655275528▶
116005–116025 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