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Molecule Identifiers
Molecular Properties

ID: 103762

SMILES:
Oc1c(C2C(C(=C)C)CC=C(C)C2)c(O)ccc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.173

InChIKey:
DQCCCQJICUBBII-UHFFFAOYSA-N

ID: 103763

SMILES:
C1(C(C)C)C(c2c(O)cc(CCC)cc2O)CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -17.712

InChIKey:
SBLQFIJJHXJVBQ-UHFFFAOYSA-N

ID: 103764

SMILES:
C1=CC(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -20.081

InChIKey:
XLSYFQOJMWXOCT-UHFFFAOYSA-N

ID: 103765

SMILES:
C12(C)C=CCC3(OC1c1c(cc(CCCCC)cc1O)OC3(C)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -14.353

InChIKey:
HGQWKTYAJGDXEH-UHFFFAOYSA-N

ID: 103766

SMILES:
C1CC(C)(C)Oc2c1c(OC)cc(CCCC)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -17.28

InChIKey:
GROAGZVBTPSPJT-UHFFFAOYSA-N

ID: 103767

SMILES:
C1(C)(C)Oc2c(cc(C(O)=O)cc2CCCCCCCCCC)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.352

InChIKey:
HEEGSQQNIKEYIW-UHFFFAOYSA-N

ID: 103768

SMILES:
C12(C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.499

InChIKey:
AWOCHTGCPUIYFT-UHFFFAOYSA-N

ID: 103769

SMILES:
Oc1cc(CCCCC)cc2c1C1CC(C(=C)C)CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.334

InChIKey:
KKGGNLGHOSMNOH-UHFFFAOYSA-N

ID: 103770

SMILES:
C1(C(C)(O)C)Cc2c(c(CCCCC)cc(O)c2)C(CCC=C(C)C)(C)C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.619

CB1 binding score: -13.376

InChIKey:
VUHBZRKZUGPXCZ-UHFFFAOYSA-N

ID: 103771

SMILES:
c1(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)ccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.225

InChIKey:
BEXSRXTVRHPHGL-UHFFFAOYSA-N

ID: 103772

SMILES:
C1(O)CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1C=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.88

InChIKey:
YZIHCYVTWJHREJ-UHFFFAOYSA-N

ID: 103773

SMILES:
c1c(O)c(CC=C(C)CCC=C(C)C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 103774

SMILES:
C(CCC=C(C)C)(=CCc1c2c(ccc1O)C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -15.929

InChIKey:
PJTCXRZKIDGCQC-UHFFFAOYSA-N

ID: 103775

SMILES:
C1C(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 103776

SMILES:
C(Cc1c(O)c2c(cc1O)OC(C)(C)C1CCC(C)=CC21)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.929

InChIKey:
LIQNNKHQELZEQV-UHFFFAOYSA-N

ID: 103777

SMILES:
COc1c(OC)cc(CCOC(=O)C2C(C)=CC(c3c(O)cc(OC)cc3C)C2C(OC)=O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.545

CB1 binding score: -13.038

InChIKey:
YBMPLZJBEHMBRM-UHFFFAOYSA-N

ID: 103778

SMILES:
C1(C(C)C)(O)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.686

InChIKey:
JXLOXQRGEOZDJN-UHFFFAOYSA-N

ID: 103779

SMILES:
c1(C)cc(OC)c(C2C=C(COC=C(CCC=C(C)C)C)CC=C2C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -15.731

InChIKey:
BGPBMNDELHTWSS-UHFFFAOYSA-N

ID: 103780

SMILES:
C1C(O)C2C(C)(C)Oc3cc(CCCCC)cc(c32)CC1(C)C1OCC(CCC=C(C)C)=C1CO

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.705

CB1 binding score: -14.859

InChIKey:
MTLMYENFHSTNPC-UHFFFAOYSA-N

ID: 103781

SMILES:
c1c(O)c(OC2C(O)C(O)C(O)C(CO)O2)c2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.474

CB1 binding score: -13.439

InChIKey:
XKFNKHFKHOVYGQ-UHFFFAOYSA-N

ID: 103782

SMILES:
C1C2C(=O)C(C)=C(CCc3cc(O)c(O)cc3)C2(C)CC2C1(O)C(OCC)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.541

CB1 binding score: -15.599

InChIKey:
BHDLMTQOSJKUJN-UHFFFAOYSA-N

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103762–103782 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