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Molecule Identifiers
Molecular Properties

ID: 75412

SMILES:
CC12Oc3c(c(O)cc(Cc4c(O)cc(CCCCC)cc4O)c3)C=C1C(C)(C)CCC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.592

CB1 binding score: -14.656

InChIKey:
VFSJKPBXNWNIDD-UHFFFAOYSA-N

ID: 75413

SMILES:
C(=CC(C)O)C12C(C)(CC(O)CC1(C)C)Oc1c(c(O)cc(CCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -14.721

InChIKey:
OBTJPFRVGUNBDP-UHFFFAOYSA-N

ID: 75414

SMILES:
CCCCCc1cc(O)c2c(c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.438

InChIKey:
NKPBIUKTNLMNFS-UHFFFAOYSA-N

ID: 75415

SMILES:
C1C(=C)C2(CC2)C(C)(C)Oc2c(O)c(C(=O)O)c(CCCCC)cc21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.342

InChIKey:
DNUDSNJLFGLNFC-UHFFFAOYSA-N

ID: 75416

SMILES:
c12c(c(O)cc(CCC(C)C)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.988

InChIKey:
SOJHVNJFTZELFD-UHFFFAOYSA-N

ID: 75417

SMILES:
C12(c3c(cc(CCCCC)cc3O)OC1(C)C)CC1C(C)(O2)CCC1C(O)(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.694

CB1 binding score: -15.229

InChIKey:
BMBLPBSZRIJBNJ-UHFFFAOYSA-N

ID: 75418

SMILES:
C1C23C(C(CC(=CCc4c(OC)c(C)cc(O)c4)C)(C)C1C)OC(CC2C)C=C3C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -16.967

InChIKey:
GTYPFGMKBZQMGC-UHFFFAOYSA-N

ID: 75419

SMILES:
C(CC)CCc1cc2c(c(O)c1)C1C(C(O)(C)C)CCC(C)(C1)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -17.545

InChIKey:
LRYSPWXTCHNYMD-UHFFFAOYSA-N

ID: 75420

SMILES:
C1CC2C(C(O)=O)(C1C)CCC1(C)Oc3c(c(O)cc(CCCCC)c3)C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -13.539

InChIKey:
CGKMVLNTULTQOS-UHFFFAOYSA-N

ID: 75421

SMILES:
CC1=CC2C3(CC1)c1c(O)cc(C)cc1OC(O)C2(C)C(C(=C)C)CC3=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.473

CB1 binding score: -12.136

InChIKey:
OCCGPHJFBVNBON-UHFFFAOYSA-N

ID: 75422

SMILES:
c1c(O)c2c(cc1C)-c1c(cc(CCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.409

CB1 binding score: -16.387

InChIKey:
XRPSKQMNDVGEMK-UHFFFAOYSA-N

ID: 75423

SMILES:
O=C(OCC)c1c(-c2c(CCCCC)cccc2)c(O)c2c(c1)OC(C)(C)C1C(O)C2C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 480.645

CB1 binding score: -17.842

InChIKey:
MBMURWFWCCZHCJ-UHFFFAOYSA-N

ID: 75424

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 75425

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 75426

SMILES:
C1=C(C)CCC(C(C)=C)C1c1c(O)cc(OC)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.88

InChIKey:
QPJZATIMFVDWEL-UHFFFAOYSA-N

ID: 75427

SMILES:
C12C(C(C)(C)Oc3cc(O)cc(C)c3C1)C(C)CCC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -13.125

InChIKey:
ZMJVFDRXDHFEAP-UHFFFAOYSA-N

ID: 75428

SMILES:
O(C(=O)C=CC=CCCCCC)c1ccc2c3c1-c1c(cc(CCCCC)cc1O)OC3(O)C(C)CO2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 506.639

CB1 binding score: -15.387

InChIKey:
HBVGNNWCXAAYPT-UHFFFAOYSA-N

ID: 75429

SMILES:
C(C(C)=CCCC(=Cc1c(O)cc(CCCCC)cc1O)C)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -18.238

InChIKey:
KVBDHFQUZZGNLL-UHFFFAOYSA-N

ID: 75430

SMILES:
Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)C(OC2C(O)C(O)C(O)CO2)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.448

CB1 binding score: -14.502

InChIKey:
CUGNXVYNOMAKMB-UHFFFAOYSA-N

ID: 75431

SMILES:
C(CCc1cc(OC)c(OC)c(C2C(C(C)=C)CCC(C)=C2)c1)(C)(C)C=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -16.328

InChIKey:
WVPCMZHMRAPWPS-UHFFFAOYSA-N

ID: 75432

SMILES:
C(=C(C)CCC=C(C)C)COc1c(CC=C(C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -18.617

InChIKey:
DYQGXDMVOLITQK-UHFFFAOYSA-N

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75412–75432 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