Browse

Molecule Identifiers
Molecular Properties

ID: 134359

SMILES:
C(C1c2cc(O)cc(C)c2C(O)CC1C(=C)C)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -13.401

InChIKey:
PJZFCWYSIQTEMF-UHFFFAOYSA-N

ID: 134360

SMILES:
Oc1c(C2C(C(=C)C)C(C)=CCC2C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -14.595

InChIKey:
DVRKNHICCBZJPF-UHFFFAOYSA-N

ID: 134361

SMILES:
C1(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 134362

SMILES:
c1(O)c(O)cc2c(c1)C1C(C(C)(C)O2)C(O)CC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.332

CB1 binding score: -16.703

InChIKey:
QXKBQJJZFZPMSL-UHFFFAOYSA-N

ID: 134363

SMILES:
C(C=CC(OC)(C)C)=C(C1CCC(CO)=CC1c1c(O)cc(CO)c(CC=C(C)CCC=C(C)C)c1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 524.742

CB1 binding score: -14.511

InChIKey:
DVFBCXJRHGCVOL-UHFFFAOYSA-N

ID: 134364

SMILES:
C(c1c(O)cc2c(c1)OC(C)(C)C1CCC(C)=CC12)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.029

InChIKey:
GLOFPCIDTKMWBQ-UHFFFAOYSA-N

ID: 134365

SMILES:
Brc1c2c(cc(C(CCCC)C)c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 391.393

CB1 binding score: -14.92

InChIKey:
JDJBOGQTCXJUJN-UHFFFAOYSA-N

ID: 134366

SMILES:
C(c1c(O)cc(O)c2c1-c1c(O)cc(CCCCCC)cc1OC2(C)C)=C(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.646

CB1 binding score: -13.975

InChIKey:
ZXTKSNKPESGXNK-UHFFFAOYSA-N

ID: 134367

SMILES:
C(C=C(C)C)CC(=CCc1cc(O)cc2c1CC(O)C(C)(C)O2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.997

InChIKey:
KLIUWHJHGJHENX-UHFFFAOYSA-N

ID: 134368

SMILES:
C(CC)COC(=O)c1c(CCC=C)cc(O)c(C2C=C(C)CCC2C(C)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -13.029

InChIKey:
YPMAOGOSJDGVGU-UHFFFAOYSA-N

ID: 134369

SMILES:
C1C(C(=C)C)C(c2cc(O)c(C)cc2O)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -19

InChIKey:
VCUWNGMQOOFWFS-UHFFFAOYSA-N

ID: 134370

SMILES:
C1c2c(cc(CCCCC)cc2O)OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 234.339

CB1 binding score: -18.796

InChIKey:
BFFUWWHIAIGFJU-UHFFFAOYSA-N

ID: 134371

SMILES:
c1(OC)c(C2C=C(CCC=C(C)C)C(=O)O2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -17.32

InChIKey:
IFESJQLSBVMDMJ-UHFFFAOYSA-N

ID: 134372

SMILES:
c1c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(OC)c1CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.397

InChIKey:
KMCXVDOHJASLKB-UHFFFAOYSA-N

ID: 134373

SMILES:
C1C(C(C)=C)C(c2c(O)cc(CCC)cc2OC)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.854

InChIKey:
OZYYEDPTJXVZJQ-UHFFFAOYSA-N

ID: 134374

SMILES:
c1(CCC(=O)C)cc(O)c(C2C(C(=C)C)CC=C(C)C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -15.815

InChIKey:
QWWWSPJIXJOTCQ-UHFFFAOYSA-N

ID: 134375

SMILES:
c1(O)ccc(C2C(C(=C)C)CCC(C)=C2)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.171

InChIKey:
HFDMGJLGHZDMNB-UHFFFAOYSA-N

ID: 134376

SMILES:
C1(=C)CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.663

InChIKey:
UFPUDVVGPHEVLF-UHFFFAOYSA-N

ID: 134377

SMILES:
c1(O)cc(CCCCC)cc2c1C1CC(C(C)C)=C(O)C(=O)C1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.038

InChIKey:
WLFIPYBZFYWPMU-UHFFFAOYSA-N

ID: 134378

SMILES:
C1C(C)=CC(c2c(O)cc(CCCCCCC)o2)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -16.398

InChIKey:
VGRIEAUEWFBOEX-UHFFFAOYSA-N

ID: 134379

SMILES:
C1=CC2(C(C)=C)CCC(C)CC1c1c(cc(CCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -15.229

InChIKey:
FEDKSCDOYDSLRH-UHFFFAOYSA-N

◀6396639763986399640064016402▶
134359–134379 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