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Molecule Identifiers
Molecular Properties

ID: 139315

SMILES:
C(C)CCC(O)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.998

InChIKey:
CQDIVXIGXATVPX-UHFFFAOYSA-N

ID: 139316

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 139317

SMILES:
Oc1c(CC=C(CCC=C(C)CCC=C(C)C)C)c(O)cc(CCCCC)c1C(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 428.613

CB1 binding score: -18.353

InChIKey:
QNRJPRFPLQBROG-UHFFFAOYSA-N

ID: 139318

SMILES:
C(c1c(O)c2c(cc1C)OC(C)(C)C=C2)CCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -14.592

InChIKey:
IQXQQSVPEPOINM-UHFFFAOYSA-N

ID: 139319

SMILES:
C(CCc1cc2c(c(OC)c1)C1C(C(C)=C)CCC(C)=CC1(C)C2=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.518

CB1 binding score: -14.188

InChIKey:
HNSLUGCIKCALJB-UHFFFAOYSA-N

ID: 139320

SMILES:
C(CCCc1cc2c(c(OC)c1)C=CC(C)(C)O2)C=C(C)CCC1C(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: Not available

InChIKey:
KFOBAISFEKTVQS-UHFFFAOYSA-N

ID: 139321

SMILES:
C(CCCCC)Cc1cc(O)cc(O)c1C1CC(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -14.59

InChIKey:
YJMQWLCKBCBMIQ-UHFFFAOYSA-N

ID: 139322

SMILES:
OC1C(C)C2(O)C(C(=C(C)C)C1)c1c(cc(CCC)cc1O)OC2=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -13.305

InChIKey:
ZURQMQJBANTPMB-UHFFFAOYSA-N

ID: 139323

SMILES:
C(c1ccccc1)(c1cc(O)c2c(c1)OC(C)(C)C1CC(O)C(C)(O)CC21)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: -12.797

InChIKey:
HJHYEMHYZBKBBY-UHFFFAOYSA-N

ID: 139324

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -19.792

InChIKey:
UGRLMQVLYLFVDE-UHFFFAOYSA-N

ID: 139325

SMILES:
C(CCc1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -15.866

InChIKey:
WEZJOSSBCKKKFS-UHFFFAOYSA-N

ID: 139326

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1CC(O)(CC=C(CCC=C(C)C)C)C(=O)C(=C1O)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Polyprenylated cyclic polyketides (Hop meroterpenoids)

MW: 452.591

CB1 binding score: -15.306

InChIKey:
GFGNQKXXQWORSA-UHFFFAOYSA-N

ID: 139327

SMILES:
C(CCc1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.479

InChIKey:
QHFVULIOBFWRAD-UHFFFAOYSA-N

ID: 139328

SMILES:
c1(O)cc(O)c2c(c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.766

InChIKey:
GNBSKWGIRCMMKP-UHFFFAOYSA-N

ID: 139329

SMILES:
c1(CCCCC)cc2c(c(O)c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.438

InChIKey:
NKPBIUKTNLMNFS-UHFFFAOYSA-N

ID: 139330

SMILES:
CC(O)(C)C12CCC(CO)=CC1c1c(O)cc(CCCCC)cc1OC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -15.85

InChIKey:
MRNYELDHLSZNIB-UHFFFAOYSA-N

ID: 139331

SMILES:
Cc1c(O)c(O)ccc1C1C(C(=C)C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -16.248

InChIKey:
RNAJSUVTSXCPLF-UHFFFAOYSA-N

ID: 139332

SMILES:
c12c(cc(CCCCC)cc1O)OC1(C)C(C)CCC1(C)CC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.74

InChIKey:
OZNVDSSOKSGTDY-UHFFFAOYSA-N

ID: 139333

SMILES:
c1(OC)c(-c2c3c(c(C)cc2O)CC(C(C)(C)O)CC(O)C3(C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.65

CB1 binding score: -16.202

InChIKey:
HEOGHAKYKNAGTR-UHFFFAOYSA-N

ID: 139334

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.129

InChIKey:
ZTGXAWYVTLUPDT-UHFFFAOYSA-N

ID: 139335

SMILES:
C(CCCC)(C(c1cc2c(c(O)c1)C1C(C(C)=C)CCC(C)(O2)C1)C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -16.015

InChIKey:
JSDXRQCTAFOASX-UHFFFAOYSA-N

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139315–139335 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