Browse

Molecule Identifiers
Molecular Properties

ID: 131650

SMILES:
C(c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 131651

SMILES:
C1(CC)C(c2cc(CCCCC)ccc2)CC=CC1C(=O)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -15.434

InChIKey:
QQESUAUURZIIKJ-UHFFFAOYSA-N

ID: 131652

SMILES:
Cc1c(C2C(C(C)=C)CCC(C)C2)cc(CCCCC)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.514

CB1 binding score: -13.841

InChIKey:
DNJPBHOMUTULNX-UHFFFAOYSA-N

ID: 131653

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -14.605

InChIKey:
RQBQULWQNLQDJV-UHFFFAOYSA-N

ID: 131654

SMILES:
C12C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)CCC(O)(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 131655

SMILES:
CC1(C)C2(CC(=O)C(C)=CCc3c(O)cc(C)cc3O2)CC(=O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.38

CB1 binding score: -13.84

InChIKey:
FTISLUZWBFUWKW-UHFFFAOYSA-N

ID: 131656

SMILES:
Cc1cc2c(cc1OC)CC(CC(O)C(C)(O)C)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 308.418

CB1 binding score: -13.9

InChIKey:
FKTVTEZDNJHDEM-UHFFFAOYSA-N

ID: 131657

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 131658

SMILES:
C(C)CCCc1cc2c(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: 131659

SMILES:
c1(CCCc2ccccc2)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.513

CB1 binding score: -17.334

InChIKey:
PIWAJPWCAQCTNI-UHFFFAOYSA-N

ID: 131660

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 131661

SMILES:
c1(C(C)C)cc(OC)c2c(c1)OC(C)(C)C1CC=C(C)CCC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -13.466

InChIKey:
VXRKREROPOHJDP-UHFFFAOYSA-N

ID: 131662

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -16.84

InChIKey:
NSKKEUFQCPCSNA-UHFFFAOYSA-N

ID: 131663

SMILES:
c1(OC)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -19.386

InChIKey:
BCARDKDANZSKCJ-UHFFFAOYSA-N

ID: 131664

SMILES:
C1(=O)C2(CCCC(C)(C)C2)c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.694

InChIKey:
QJHOQGSGVPOQJV-UHFFFAOYSA-N

ID: 131665

SMILES:
C(=C(C)Cc1cc(CC=C(C)C)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.6

CB1 binding score: -13.895

InChIKey:
AKOZTPRPKXXRSA-UHFFFAOYSA-N

ID: 131666

SMILES:
CC1(C)Oc2cc(CCCCC)cc(OC)c2CC1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -17.811

InChIKey:
XGUNHTRLRAWUSH-UHFFFAOYSA-N

ID: 131667

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(=C)CC12)C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.062

InChIKey:
LYFKARLSMUMJIS-UHFFFAOYSA-N

ID: 131668

SMILES:
O(c1c(OC)c2c(cc1C)OC(CCC(C(C)(O)C)OC(C)=O)(C)C=C2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.465

CB1 binding score: -14.3

InChIKey:
MVYSYPUKQMJELU-UHFFFAOYSA-N

ID: 131669

SMILES:
O1c2cc(CCCCC)cc(OCCC(O)(CC(=O)C=C(C)C)C)c2C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -13.019

InChIKey:
RKXDGMFEWCFLPN-UHFFFAOYSA-N

ID: 131670

SMILES:
C(CCO)c1cc(O)c(C2C=C(CCC=C(C)C)C(=O)C(C)O2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -15.645

InChIKey:
NMPKOLTZZRZLMH-UHFFFAOYSA-N

◀6267626862696270627162726273▶
131650–131670 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