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Molecule Identifiers
Molecular Properties

ID: 87361

SMILES:
C(Cc1c(OC)c(C2C=C(C)CCC2C(C)=C)c(O)cc1O)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -14.515

InChIKey:
IALMQWJWLTYZSY-UHFFFAOYSA-N

ID: 87362

SMILES:
C(C)CCc1cc2c(c(O)c1)C1C(O1)C(C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.322

CB1 binding score: -18.533

InChIKey:
ARHBXOQWKNVHSI-UHFFFAOYSA-N

ID: 87363

SMILES:
CC(CCC=C(C)COC(CC1(CCCC)CCCC1)=O)Cc1cc(O)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.602

CB1 binding score: -13.299

InChIKey:
RVGLVPCIASGSGU-UHFFFAOYSA-N

ID: 87364

SMILES:
C(CCCCc1cc2c(c(O)c1)C1CC(C)(O)C3CC4C(C)(CCC(=O)C(C)=C1)C2(O4)C(C)CO3)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 496.688

CB1 binding score: -16.072

InChIKey:
YPGCRNNFEADHBV-UHFFFAOYSA-N

ID: 87365

SMILES:
C1(C)(C)C(C(CCC)=O)=C(C)CC(c2ccc(C)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -14.688

InChIKey:
HQHMDCWGPCRGCW-UHFFFAOYSA-N

ID: 87366

SMILES:
Oc1c(C=O)c(O)c2c(c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.343

CB1 binding score: -18.055

InChIKey:
GEZAYKHATNAJMB-UHFFFAOYSA-N

ID: 87367

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.608

InChIKey:
GGLDFPKGLVSAPS-UHFFFAOYSA-N

ID: 87368

SMILES:
C(C)(C1CCC(C)=CC1c1c(O)cc(C)cc1O)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.223

InChIKey:
OJONPWSJCVBBKK-UHFFFAOYSA-N

ID: 87369

SMILES:
C(CCCCc1cc(O)c2c(c1)OC(CCC=C(C)C)(C)C2C=CC(C)=CC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -12.993

InChIKey:
CHBNBHLAANKTIP-UHFFFAOYSA-N

ID: 87370

SMILES:
O(c1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)C(O)C21)CC(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -15.337

InChIKey:
ZVAPQJYLACDQIC-UHFFFAOYSA-N

ID: 87371

SMILES:
C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.622

InChIKey:
NEBZNJDFIPBXCS-UHFFFAOYSA-N

ID: 87372

SMILES:
C1(=O)C2(O)c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC(C(C)(C)O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -15.407

InChIKey:
VTDCJYKGJBILRF-UHFFFAOYSA-N

ID: 87373

SMILES:
c12c(ccc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -17.649

InChIKey:
CBFJCKSFJPWQQA-UHFFFAOYSA-N

ID: 87374

SMILES:
C1C(=C)CC2C(C1O)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.053

InChIKey:
IOFCRYGGEWHKPI-UHFFFAOYSA-N

ID: 87375

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 87376

SMILES:
c1c(CCCCC)cc2c(c1O)C1CC(C)(O2)OC1(O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -14.86

InChIKey:
OWGISTQYNBEFHP-UHFFFAOYSA-N

ID: 87377

SMILES:
C1C(O)(C)C(=O)CC2C(C)(C)Oc3c(c(O)cc(O)c3)C12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.331

CB1 binding score: -14.836

InChIKey:
IDFOAQHYEBSKKT-UHFFFAOYSA-N

ID: 87378

SMILES:
c1(CC)cc(O)c2c(c1)C(C(CCC1C(C)(C)O1)(C)O)OC(C)(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -16.194

InChIKey:
CVXXHMTUSRCFTD-UHFFFAOYSA-N

ID: 87379

SMILES:
C(Cc1c2c(cc(CCCCC)c1)OC(C)(C)C1C(O)CC(C)(C(O)=O)CC21)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.574

CB1 binding score: -15.929

InChIKey:
ZZBMGMSOXRGCHD-UHFFFAOYSA-N

ID: 87380

SMILES:
C12C(c3c(O)cc(CCCCC)cc3OC1(C)C)C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 87381

SMILES:
O1C2C(C)CCC3C(C)(C)Oc4c(c(O)cc(CCCC)c4O1)C23

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -15.115

InChIKey:
PBPHHLAVPFPUMH-UHFFFAOYSA-N

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87361–87381 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