Browse

Molecule Identifiers
Molecular Properties

ID: 93745

SMILES:
CC1=CCC2C1C1C(C(C)(C)Oc3cc(C)cc4c3C=CC(C)(C)O4)CC1(C)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.583

CB1 binding score: -14.675

InChIKey:
AMMSBYHRPPDBKK-UHFFFAOYSA-N

ID: 93746

SMILES:
O1C2(O)C3(c4c(cc(CCCCC)cc4OC(=O)C)OC(C(O)(C)C)C3)C(=O)CC2C(C)(C)CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 502.604

CB1 binding score: -15.438

InChIKey:
JDSMUALTHPJZES-UHFFFAOYSA-N

ID: 93747

SMILES:
C1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -19.22

InChIKey:
AHKIGVNVQSVNEP-UHFFFAOYSA-N

ID: 93748

SMILES:
CCCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(CO)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 93749

SMILES:
C(CCC)CCc1cc(O)c(C2C(C(C)=C)CC=C(CCC=C(C)C)C2)c(O)c1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.642

CB1 binding score: -16.502

InChIKey:
KYHYCDUISGFEPO-UHFFFAOYSA-N

ID: 93750

SMILES:
C1C2OC23c2c(cc(CCCCC)cc2O)OC(C)(CC3)C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.588

InChIKey:
MDCCEKGJRGKTFQ-UHFFFAOYSA-N

ID: 93751

SMILES:
CC1(C)C(C)=CC2(Oc3c(c(O)cc(CCCCC)c3)C2)OC1C(C)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -11.781

InChIKey:
BZTJDEDURGWTFD-UHFFFAOYSA-N

ID: 93752

SMILES:
C(C)CCc1cc(OC)cc(O)c1CC=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -15.862

InChIKey:
FFHINTQPNASHJK-UHFFFAOYSA-N

ID: 93753

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 93754

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.471

CB1 binding score: -13.495

InChIKey:
RETDUIQSARQLTO-UHFFFAOYSA-N

ID: 93755

SMILES:
c1(CCCC)cc2c(c(O)c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.879

InChIKey:
WNSSGUWRFMVTAI-UHFFFAOYSA-N

ID: 93756

SMILES:
C1C2CC(OC(=O)C(C)=C)C(C)=Cc3c(O)c(C(=O)O)c(CCCCC)cc3OC2CC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.617

CB1 binding score: -16.502

InChIKey:
PLCAYCIECNIFPX-UHFFFAOYSA-N

ID: 93757

SMILES:
C1(C)(C)Oc2cc(CCCCC)c(C(=O)O)cc2C(CCCO)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.455

CB1 binding score: -12.307

InChIKey:
CBDHOHCHXGJAJO-UHFFFAOYSA-N

ID: 93758

SMILES:
C12CC(C)=CCC1C(C)(C)Oc1c2ccc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -18.541

InChIKey:
DXDRGIVLXHOGHC-UHFFFAOYSA-N

ID: 93759

SMILES:
CC1C(CCC(C)=CCc2c(O)c(C)cc(O)c2)(C)C(C)C(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -15.992

InChIKey:
YIPDMVIEDGLCKB-UHFFFAOYSA-N

ID: 93760

SMILES:
CC1(C)Oc2c(cc(OC)cc2CCC)CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -15.519

InChIKey:
GJSIMYFTELFFOS-UHFFFAOYSA-N

ID: 93761

SMILES:
C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 93762

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -15.554

InChIKey:
KWDKBSDMMSPIQP-UHFFFAOYSA-N

ID: 93763

SMILES:
C12(C)Oc3c(c(O)cc(C)c3)C3(O1)C(C)=CCC3C(C)(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -14.18

InChIKey:
BIEUTYRGURMRPA-UHFFFAOYSA-N

ID: 93764

SMILES:
C1CC2(C)C(C(C)(C)C1)C(O)(c1c(O)cc(CCC)cc1O)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.429

CB1 binding score: -6.47

InChIKey:
HGBPJCIUNBGVDD-UHFFFAOYSA-N

ID: 93765

SMILES:
c1(C2CC(O)C(C)(CCC=C(C)C)Oc3cc(CCCCC)c(C(=O)O)c(O)c32)ccc(O)c(O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 514.615

CB1 binding score: -13.556

InChIKey:
RCITYMHJWATPDU-UHFFFAOYSA-N

◀4462446344644465446644674468▶
93745–93765 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