Browse

Molecule Identifiers
Molecular Properties

ID: 131713

SMILES:
C1(c2c(O)cc(CCCCC)cc2O)C(C(C)C)CCC(C)=CCCC1=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -15.721

InChIKey:
KUOWRUKVLYOHDQ-UHFFFAOYSA-N

ID: 131714

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C=C(CCC=C(C)C)CC2(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -14.1

InChIKey:
UMLPLVNCVZMEOB-UHFFFAOYSA-N

ID: 131715

SMILES:
c1c(C(=O)OC)cc(C2C(C(=C)C)CCC(C)=C2)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -18.003

InChIKey:
VPSWYBOTFPOXLO-UHFFFAOYSA-N

ID: 131716

SMILES:
C12=C(C(O)=C(C(=O)C3(C)CCC=C(C)CC3)CC1=C(C)C)Oc1c(c(OC)cc(CCCCC)c1)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 504.667

CB1 binding score: -14.483

InChIKey:
ATIPSWHSUUWYDT-UHFFFAOYSA-N

ID: 131717

SMILES:
CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(OC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.279

InChIKey:
FJLSABHTAXPHBN-UHFFFAOYSA-N

ID: 131718

SMILES:
c12cc(CCCN)ccc1OC(C)(C)C1C2CC(C)C(O)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 303.446

CB1 binding score: -15.302

InChIKey:
GHCUGODALXSGHW-UHFFFAOYSA-N

ID: 131719

SMILES:
C(CC1(C)Oc2c(C)cc(OC)cc2C=C1)C(C(C)=C)CCC(=CCc1cc(O)c(C)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 476.657

CB1 binding score: -14.017

InChIKey:
MGGWEAXEBGEQJT-UHFFFAOYSA-N

ID: 131720

SMILES:
C(C1CCC(C)=CC1c1c(O)cc(O)cc1C)CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -15.799

InChIKey:
ITMDVESOLARAJP-UHFFFAOYSA-N

ID: 131721

SMILES:
O=C(C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -17.834

InChIKey:
MKEBYMYEFFKCQH-UHFFFAOYSA-N

ID: 131722

SMILES:
c1(O)c(O)c(C)cc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.123

InChIKey:
JVBFNHSRJBAPCV-UHFFFAOYSA-N

ID: 131723

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 131724

SMILES:
C(CC1=CCC2C(C(C)(C)Oc3c2c(O)c(CC=C(C)C)cc3)C1)CC(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -11.745

InChIKey:
BBHZYSMJOWRURE-UHFFFAOYSA-N

ID: 131725

SMILES:
CC(CO)=CCCC(=CCc1c(O)cc(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.663

InChIKey:
JNGJGHFJBFPWRL-UHFFFAOYSA-N

ID: 131726

SMILES:
C=CCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -16.63

InChIKey:
IUHVBXKBQKCRRZ-UHFFFAOYSA-N

ID: 131727

SMILES:
C12CC3C(=C)C(=O)OC3CC1(C)Oc1c(c(O)cc(CCCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -15.636

InChIKey:
DYNDVCWDPPMTRD-UHFFFAOYSA-N

ID: 131728

SMILES:
C12C=C(C)CCC1C(C)(C)Oc1c2ccc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.189

InChIKey:
AIOSXAOKGBOYPS-UHFFFAOYSA-N

ID: 131729

SMILES:
C1(C)=CCC2C(C1)c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 131730

SMILES:
O(C)c1c(OC)c(OC)cc(O)c1C1C(C(=C)C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -16.502

InChIKey:
MZIZMOBUXOQISS-UHFFFAOYSA-N

ID: 131731

SMILES:
CCCc1ccc(O)c2c1OC(C)(C)C1CC2C(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -13.842

InChIKey:
DBGFLDATQHJADY-UHFFFAOYSA-N

ID: 131732

SMILES:
c1(CC)cc(O)c(C2(C)OC(C)(C)C(O)CC2)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -14.663

InChIKey:
KAFPXMFWTWUSQR-UHFFFAOYSA-N

ID: 131733

SMILES:
Oc1c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

◀6270627162726273627462756276▶
131713–131733 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