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Molecule Identifiers
Molecular Properties

ID: 69007

SMILES:
c1(C(O)=O)cc(C=C(C)C(OC)=O)c2c(c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.445

CB1 binding score: -12.53

InChIKey:
KJUSTKUNIFIHOM-UHFFFAOYSA-N

ID: 69008

SMILES:
C(CCC)Cc1cc2c(c(OC)c1OC)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -14.118

InChIKey:
KZABXZQIVGTBRR-UHFFFAOYSA-N

ID: 69009

SMILES:
O=Cc1c(O)c2c(cc1CCCCC)oc(CC1C(C)(C)O1)(CC=C)C2=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -13.816

InChIKey:
NWDWPVUVJGHPTP-UHFFFAOYSA-N

ID: 69010

SMILES:
C1C=CC(O)C2C1C(C)(C)Oc1c2cccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 230.307

CB1 binding score: -13.938

InChIKey:
DCEAXDOGFQDXOK-UHFFFAOYSA-N

ID: 69011

SMILES:
c1(CCCC)cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 69012

SMILES:
c12c(O)cc(CCCCCO)cc1OC(C)(C)C1=C2CC(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.49

InChIKey:
XKRWIKPDCYYBQO-UHFFFAOYSA-N

ID: 69013

SMILES:
CC1(C)C(OC(=O)C(=CC)C)c2c(O)c(C(C(CC)C)=O)c(O)c(CC=C(C)C)c2OC2(C3(C)CCC(C)=C(C)C3C=C2)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 606.8

CB1 binding score: -14.602

InChIKey:
UAHWIYOMRQLTNP-UHFFFAOYSA-N

ID: 69014

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -19.034

InChIKey:
SKFPSWUXWVYQEV-UHFFFAOYSA-N

ID: 69015

SMILES:
C(C=Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(O)(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.293

InChIKey:
YVNLRFQPVYADAP-UHFFFAOYSA-N

ID: 69016

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)=Cc1ccccc1

Pathway: Polyketides;Shikimates and Phenylpropanoids

Superclass: Meroterpenoids;Stilbenoids

Class: Cannabinoids;Monomeric stilbenes

MW: 374.524

CB1 binding score: -16.015

InChIKey:
MZCGNWYLLYDATK-UHFFFAOYSA-N

ID: 69017

SMILES:
C1C2(c3c(OC)cc(CCCCC)cc3OC1(C)C)OC(C)(C)C(CC=C(C)C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.63

CB1 binding score: -16.377

InChIKey:
QESHVGGWHZPPES-UHFFFAOYSA-N

ID: 69018

SMILES:
CC1=CC(c2ccc(CCCCC)cc2)C(C(O)(C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -18.046

InChIKey:
MXECOWWPQRFPTG-UHFFFAOYSA-N

ID: 69019

SMILES:
C1(C(C(O)=O)=C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -15.965

InChIKey:
VTQFTEYFUJSYDG-UHFFFAOYSA-N

ID: 69020

SMILES:
C(CCC)Cc1cc2c(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: 69021

SMILES:
C1(OO)C(=C)CCC2C1c1c(cc(CCCCC)cc1O)OC(C)(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -14.904

InChIKey:
FSFUNFHCYVYMGV-UHFFFAOYSA-N

ID: 69022

SMILES:
C1=C(C)CCC2C(C)(C)Oc3cc(C)ccc3C21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.037

InChIKey:
TWNNHTGNOPUEHO-UHFFFAOYSA-N

ID: 69023

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 69024

SMILES:
c12c(cc(C)cc1O)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.913

InChIKey:
USHZBDBBZHEKPJ-UHFFFAOYSA-N

ID: 69025

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 69026

SMILES:
c1(CCCCC)c(C)c2c(c3c1CC(O)C(C)C3)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -16.502

InChIKey:
DENWCRCKNQOKEN-UHFFFAOYSA-N

ID: 69027

SMILES:
C(CCCc1cc(O)c2c(c1)C1(O)CC(O)C3C(C)(C)OC(C)(C)OC3C1O2)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.519

CB1 binding score: -16.018

InChIKey:
PCJNUMNPQPZPMZ-UHFFFAOYSA-N

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69007–69027 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