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Molecule Identifiers
Molecular Properties

ID: 60775

SMILES:
C(C(=O)c1c(O)cc(O)c2c1OC(C)(C)C1CC2C(C)=CC1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -15.431

InChIKey:
ISGSTIFIXMGHOB-UHFFFAOYSA-N

ID: 60776

SMILES:
O1C2(C)CCC1C(C)(C)OC2CCC(=CCc1c(O)c(C)cc(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -15.058

InChIKey:
COWHBFWJPCFTGQ-UHFFFAOYSA-N

ID: 60777

SMILES:
C1C23OC2(c2c(c(CCCCC)cc(O)c2C(=O)CC(C)C)O3)CCC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -17.87

InChIKey:
SVHVGCJINKAGKH-UHFFFAOYSA-N

ID: 60778

SMILES:
C(c1cc2c(c(O)c1)CC1(O)C(=O)OC(CCC=C(C)C)(C)C3CCC(C)(O3)C21)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.569

CB1 binding score: -15.929

InChIKey:
KDBCORXBCOSKLW-UHFFFAOYSA-N

ID: 60779

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.369

CB1 binding score: -13.4

InChIKey:
BEQMLARBKBKVJV-UHFFFAOYSA-N

ID: 60780

SMILES:
O(c1cc(O)c(C(C(C)C)=O)c2c1C1C(=C)CCC1C(C)(C)O2)C(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.434

CB1 binding score: -14.322

InChIKey:
FMBDRFDBTKCJHY-UHFFFAOYSA-N

ID: 60781

SMILES:
c1(C(=O)C(C)C)c(O)c2c(cc1)OC(C)(C)C1C2CC(C)(O)C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.439

CB1 binding score: -14.171

InChIKey:
DABZFPCNYJEQAT-UHFFFAOYSA-N

ID: 60782

SMILES:
COc1cc2c(c(O)c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -16.771

InChIKey:
JVDBKMJLEHCFLG-UHFFFAOYSA-N

ID: 60783

SMILES:
C(C)(C)=CCCc1cc2c(cc1OC(C)=O)-c1c(ccc(C)c1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.485

CB1 binding score: -14.604

InChIKey:
BVMZERLYNSVLFZ-UHFFFAOYSA-N

ID: 60784

SMILES:
c12cc(CCCCC)cc(O)c1C1=C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -20.728

InChIKey:
RECLSNODOVFMMU-UHFFFAOYSA-N

ID: 60785

SMILES:
C(C)(CCCc1c2c(ccc1C)OC(C)(C)C(O)C2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.42

CB1 binding score: -15.41

InChIKey:
YTGVIBKZDSFPPD-UHFFFAOYSA-N

ID: 60786

SMILES:
C1(C)=CCC2C(C(C)(C)Oc3cc(CCC)cc(O)c32)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.354

InChIKey:
RZYBIGRPBABGFF-UHFFFAOYSA-N

ID: 60787

SMILES:
C(C(=CCc1cc(O)c(C)cc1OC)C)CC1(OC)C(C)(C)OC(C)(C)C(O)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.547

CB1 binding score: -12.517

InChIKey:
VEIAFJLRFCUSHP-UHFFFAOYSA-N

ID: 60788

SMILES:
C(O)C1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 60789

SMILES:
COc1c2c(cc(C(C)(C)CCCC(C)C)c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -15.874

InChIKey:
NEDOVWNUYWEKMV-UHFFFAOYSA-N

ID: 60790

SMILES:
Oc1c2c(cc(CCCCC)c1O)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.889

InChIKey:
UQZHCXRAKGTLRR-UHFFFAOYSA-N

ID: 60791

SMILES:
c12c(c(CCCCC)cc(O)c1)CC1C(CCC=C(C)C)(C)C1C=C(CO)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -12.521

InChIKey:
LRJRVONNIYRHCQ-UHFFFAOYSA-N

ID: 60792

SMILES:
Oc1c2c(c(Cl)c(O)c1OC)OC(CCC1C(C)(C)O1)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.922

CB1 binding score: -15.152

InChIKey:
UIIZQHGYUAOUTB-UHFFFAOYSA-N

ID: 60793

SMILES:
Oc1cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 60794

SMILES:
C(C=C(C)C)CC(O)(C)C=Cc1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -17.682

InChIKey:
CNZYSYQHEUYYIM-UHFFFAOYSA-N

ID: 60795

SMILES:
C(=C(CCC=C(CCC=C(C)C1CC=C(C)CC1)COC(C)=O)Cc1c(O)c(C(O)=O)c(CCCCC)cc1O)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 606.844

CB1 binding score: -15.929

InChIKey:
BECZAZOMTWUAQD-UHFFFAOYSA-N

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60775–60795 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