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Molecule Identifiers
Molecular Properties

ID: 104203

SMILES:
C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1c1c(ccc(C)c1)C1=CC2(C)C(O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.576

CB1 binding score: -11.651

InChIKey:
HNMFPNOQSNPTMZ-UHFFFAOYSA-N

ID: 104204

SMILES:
C1C(C(C)=CC2c3c(O)cc(CCCCC)cc3OC2(C)C)C=C(C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -15.617

InChIKey:
XMQFSACJWDMVPD-UHFFFAOYSA-N

ID: 104205

SMILES:
Cc1cc(O)cc(C2C(C(C)=C)CCC(C)=C2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -17.706

InChIKey:
FBXSVXARSUKKDJ-UHFFFAOYSA-N

ID: 104206

SMILES:
C12CC(C(O)(C)CCC1C(C)C)Oc1c2c(cc(CCCCC)c1)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -14.605

InChIKey:
GSPOJMIUGJLNDM-UHFFFAOYSA-N

ID: 104207

SMILES:
O1c2cc(CCCCC)cc(O)c2C(O)CC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -16.791

InChIKey:
UYADPMJTRAQFBO-UHFFFAOYSA-N

ID: 104208

SMILES:
C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -19.032

InChIKey:
NJSZRBFBYZMAGU-UHFFFAOYSA-N

ID: 104209

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.055

InChIKey:
AOYYFUGUUIRBML-UHFFFAOYSA-N

ID: 104210

SMILES:
O=C(C)OC(CCC=C(C)C)(C)C=CCC(C)=CCc1cc(O)cc2c1OC[N]2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 413.558

CB1 binding score: -15.054

InChIKey:
SJCKOQHWMMYRPQ-UHFFFAOYSA-N

ID: 104211

SMILES:
C=C(C)C1C(c2c(O)cc(CCCCC)cc2OC)C=C(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.805

InChIKey:
SBZKIVMNPRPVBR-UHFFFAOYSA-N

ID: 104212

SMILES:
Oc1cc(CCCCC)cc2c1C1CC(C)=CCC(=O)C(C)=CC1c1c(O)c(C(CCC)(C)C)c(CO)c(C)c1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 560.775

CB1 binding score: -15.633

InChIKey:
PTADAUVCXGSYFH-UHFFFAOYSA-N

ID: 104213

SMILES:
c12c(cc(CCCCC)c(C(=O)O)c1O)OC1(C)CCC(C(C)=C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -16.502

InChIKey:
QQKHMQAUINFKKL-UHFFFAOYSA-N

ID: 104214

SMILES:
C(c1c(O)c(C)c(C2CC(C(C(O)=O)=C)CCC2C)c(O)c1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -15.929

InChIKey:
QXUIJXOGYVXYDW-UHFFFAOYSA-N

ID: 104215

SMILES:
OCc1cc(O)c2c(c1)OC(C)(C)C1C2CC=C(C)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -13.61

InChIKey:
CXIBGUQYOGMNLQ-UHFFFAOYSA-N

ID: 104216

SMILES:
Oc1c(CC=C(CC(C=C(C)C)O)C)c(O)cc(CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -17.972

InChIKey:
GVJKXDZANPDGKN-UHFFFAOYSA-N

ID: 104217

SMILES:
c1c(CCC(=O)C23CCC(C)=CC2c2c(O)cc(CCCCC)cc2OC(C(C)(O)C)C3)cc(O)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 506.683

CB1 binding score: -12.795

InChIKey:
JQDVKXUTVPKKSD-UHFFFAOYSA-N

ID: 104218

SMILES:
O1C2(CC(C)C1)c1c(O)cc(CCCCC)cc1OC(C)(C)C(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -13.196

InChIKey:
NEGGVKBZXIMURK-UHFFFAOYSA-N

ID: 104219

SMILES:
c1(O)cc(CCCCC)cc2c1C1C=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: 104220

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 104221

SMILES:
c1cc(CCCO)cc(O)c1C1C=C(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.056

InChIKey:
VBLSBSHFNIGWDA-UHFFFAOYSA-N

ID: 104222

SMILES:
C(C1CCC(C)=CC1c1c(O)cc(CCC)cc1OC)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.06

InChIKey:
MRZPOQALOPCHJG-UHFFFAOYSA-N

ID: 104223

SMILES:
C(C1CC2(O)c3c(O)cc(C(=O)O)c(CCCCC)c3OC(C)(C)C2CC1=O)CC(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 446.54

CB1 binding score: -16.21

InChIKey:
XWVPYWBWXJEYPJ-UHFFFAOYSA-N

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104203–104223 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