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Molecule Identifiers
Molecular Properties

ID: 131419

SMILES:
O(c1cccc2c1CC(CCCC(C)C)(C)O2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -14.605

InChIKey:
QHMZVPIENSCRLG-UHFFFAOYSA-N

ID: 131420

SMILES:
Oc1c(CC=C(C)C)c2c(cc1CCCCC)OC(C)(C)C1C(O)CC(C)C1C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -12.844

InChIKey:
FBUILWOIWYCOKZ-UHFFFAOYSA-N

ID: 131421

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -14.498

InChIKey:
QATTXTYZKODZCK-UHFFFAOYSA-N

ID: 131422

SMILES:
c1c(CCCCC)cc2c(c1O)C1CC(C)(O2)CCC1C(O)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.841

InChIKey:
UKPNRAMYBFBWKV-UHFFFAOYSA-N

ID: 131423

SMILES:
COc1c(OC)c(O)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -16.393

InChIKey:
MFSNUNSWCXUQGE-UHFFFAOYSA-N

ID: 131424

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.791

InChIKey:
ORKZJYDOERTGKY-UHFFFAOYSA-N

ID: 131425

SMILES:
COc1cc2c(c(O)c1O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -15.686

InChIKey:
JGERENDVROJIPR-UHFFFAOYSA-N

ID: 131426

SMILES:
c1(C(C)C)c(O)cc2c(c1)OC(C)(C)C1C2CCC1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -12.111

InChIKey:
OWICBHFSVDFTPU-UHFFFAOYSA-N

ID: 131427

SMILES:
C1(c2cc(O)ccc2O)C(C(=C)C)CCC(C)=CCCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -17.145

InChIKey:
RTWHGHPOLBVDCK-UHFFFAOYSA-N

ID: 131428

SMILES:
c1c2c(C)ccc1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -15.389

InChIKey:
SMHWZLPMZWLPIC-UHFFFAOYSA-N

ID: 131429

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 131430

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: 131431

SMILES:
C(C)C1CCC(CO)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -14.605

InChIKey:
HFOYSJXUDZTIEU-UHFFFAOYSA-N

ID: 131432

SMILES:
C(C)(C)C1C(c2cc(CCCCC)cc(O)c2)CC(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.502

CB1 binding score: -17.408

InChIKey:
KQFIAPFYTVZWGD-UHFFFAOYSA-N

ID: 131433

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C1C(CCC2C)C1(C)Cl

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.995

CB1 binding score: -11.682

InChIKey:
QXOVNWSWOIPICR-UHFFFAOYSA-N

ID: 131434

SMILES:
Oc1cc(CCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 131435

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.86

CB1 binding score: -16.763

InChIKey:
WATQRQQNAUECOM-UHFFFAOYSA-N

ID: 131436

SMILES:
Cc1c(I)c2c(c(OC)c1)C=CC(CCC=C(C)C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.284

CB1 binding score: -16.451

InChIKey:
DVHDLPLBSDONKQ-UHFFFAOYSA-N

ID: 131437

SMILES:
C1(C)(C)C2CC(SCC(=O)O)C(C)=CC2C(=O)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.35

CB1 binding score: -18.178

InChIKey:
SWGZCOCBPDXGKP-UHFFFAOYSA-N

ID: 131438

SMILES:
C1CC(C)=CCC1C(CCC(C)=CCCC(=CCc1cc(O)cc(C)c1O)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: Not available

InChIKey:
DOEVVMGWIHBOHH-UHFFFAOYSA-N

ID: 131439

SMILES:
CC(C)C1CC(Oc2ccc(CCCCC)cc2OC)C(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -16.956

InChIKey:
MGIXPSLNUMJKBO-UHFFFAOYSA-N

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131419–131439 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