Browse

Molecule Identifiers
Molecular Properties

ID: 67117

SMILES:
CC(C(O)C(C)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -14.524

InChIKey:
QNAJNDPTFDKIQU-UHFFFAOYSA-N

ID: 67118

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.701

InChIKey:
QFYIYBNVAPLEFO-UHFFFAOYSA-N

ID: 67119

SMILES:
COC1c2c3c(c(O)c(C)c2OC1)OC(C)(C)C1CCC(C)=CC31

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -15.21

InChIKey:
HWYDJHKIKQLCEV-UHFFFAOYSA-N

ID: 67120

SMILES:
Cc1c(C(C(C)C)OC(=O)C)c(O)cc2c1C1CC(C=O)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -11.966

InChIKey:
PAQGYPWTYQMRBK-UHFFFAOYSA-N

ID: 67121

SMILES:
C1c2c(cc(C)c(OC)c2)OC(C)(C)C1C1CC(=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -14.625

InChIKey:
RJFFRRCQIVRUAL-UHFFFAOYSA-N

ID: 67122

SMILES:
c1(O)cc(C)c(-c2oc(=O)c(OC)c(CC=C(C)C(CC=C(C)C)=C)c2CC=C(C)C)c(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 518.738

CB1 binding score: -15.612

InChIKey:
JGJOMVLVJVTWJL-UHFFFAOYSA-N

ID: 67123

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.946

InChIKey:
ZZWBNNWUXWMLHU-UHFFFAOYSA-N

ID: 67124

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.418

InChIKey:
LGODBTZHJXNSNC-UHFFFAOYSA-N

ID: 67125

SMILES:
C#CCc1cc(C2C=C(C)CCC2C(=C)C)c(CC=C(C)C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.504

CB1 binding score: -15.093

InChIKey:
ONTKFGXPNQMGGX-UHFFFAOYSA-N

ID: 67126

SMILES:
C1C(c2c(O)cc(CCCCC)cc2O)COC1C(C)(C)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 308.418

CB1 binding score: -11.212

InChIKey:
VFVHIDYNGPBHSD-UHFFFAOYSA-N

ID: 67127

SMILES:
C1CC(C(C)(C)O)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -18.012

InChIKey:
BWTXRXWJBUBROE-UHFFFAOYSA-N

ID: 67128

SMILES:
C(C(C1C2C3C(C)(CC1)CCCC2(C)Oc1cc(O)cc(CCCCC)c13)O)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.657

CB1 binding score: -17.17

InChIKey:
SQDQJKAXWDBNAA-UHFFFAOYSA-N

ID: 67129

SMILES:
Oc1c(C)cc2c(c1)-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -17.792

InChIKey:
OVLCNLKQINIQNN-UHFFFAOYSA-N

ID: 67130

SMILES:
CC1(C)Oc2c(c(O)ccc2O)C2CC(C)=CCC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.145

InChIKey:
YJSPCCRFFZMYHY-UHFFFAOYSA-N

ID: 67131

SMILES:
C(C(C)=CCc1cc(O)c(C)cc1OC(=O)C)CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -19.332

InChIKey:
HAXRQCRJABYNJC-UHFFFAOYSA-N

ID: 67132

SMILES:
C1=C(C)CCC(C(C)C)C1c1c(O)cc(CCCCCO)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.781

InChIKey:
CTZSPTCATADZMP-UHFFFAOYSA-N

ID: 67133

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.265

InChIKey:
KTPDAZGMXXWSMU-UHFFFAOYSA-N

ID: 67134

SMILES:
C1CCC2(C)Oc3c(c(O)cc(CCCCC)c3)C3OC(=O)C(=C1)CC23

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -15.409

InChIKey:
YMSMLBOWZQIYBO-UHFFFAOYSA-N

ID: 67135

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)-c2cc(C=O)c(O)c(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.418

CB1 binding score: -15.929

InChIKey:
JYLLMONITQPJGH-UHFFFAOYSA-N

ID: 67136

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 67137

SMILES:
C(CCCc1cc(O)c2c(c1O)OC(C)(C)C1CCC(C(O)=O)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -16.285

InChIKey:
YSFCPZIJDAJXFM-UHFFFAOYSA-N

3194319531963197319831993200
67117–67137 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