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Molecule Identifiers
Molecular Properties

ID: 131755

SMILES:
c1(CCC)c(O)cc(O)c2c1OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.081

InChIKey:
RRTAMPKAKNBFDX-UHFFFAOYSA-N

ID: 131756

SMILES:
CC1(C)C2CC1c1cc(CCCCC)cc(O)c1C=C(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -16.559

InChIKey:
URUFWCIOVVCIAO-UHFFFAOYSA-N

ID: 131757

SMILES:
C12C(C)(C)C3(OC1)C(C)(CC2)Oc1cc(CCCCC)cc(O)c13

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.184

InChIKey:
NOQHDVHGGZDBNA-UHFFFAOYSA-N

ID: 131758

SMILES:
C1=CC(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.334

InChIKey:
YCDXQMAIGVRFAO-UHFFFAOYSA-N

ID: 131759

SMILES:
C12CCC(C)=CC1c1c(cc(O)cc1C=O)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -17.206

InChIKey:
CCHKXRXFFFJJRQ-UHFFFAOYSA-N

ID: 131760

SMILES:
CC1(C)Oc2c(c(O)cc(CCC)c2C)CC2C(C)(CC=C1)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -13.951

InChIKey:
DZAVKALCSIZTJY-UHFFFAOYSA-N

ID: 131761

SMILES:
c1(O)cc(OC)cc2c1C1C(CCC(C)=CCCC(C)=CCC1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -15.663

InChIKey:
OVUUMEAYSYKFFI-UHFFFAOYSA-N

ID: 131762

SMILES:
C(CCCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(OC)c1)CCC=CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.723

CB1 binding score: -15.742

InChIKey:
HNTROTIPZCGYGV-UHFFFAOYSA-N

ID: 131763

SMILES:
c1(CC)cc2c(c(OC)c1)C1C(C(C)(C)O2)C(=O)CC(C)(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -14.493

InChIKey:
FARHKCQJKTZMSS-UHFFFAOYSA-N

ID: 131764

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 131765

SMILES:
C1(OC)CC(C)=CC1c1c(CCCCC)cc2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.626

CB1 binding score: -12.642

InChIKey:
OXQQFCFAPZRWSS-UHFFFAOYSA-N

ID: 131766

SMILES:
c1c(C)cc(O)c2c1OC1(C)CCC(C(C)C)=C(O)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: Not available

InChIKey:
ABHKFNXQCJFADI-UHFFFAOYSA-N

ID: 131767

SMILES:
C(C(C=C(C)C)O)C1(C)C=Cc2c(c(O)cc(CCCCC)c2)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.581

InChIKey:
PSMXHDMMFRMUOM-UHFFFAOYSA-N

ID: 131768

SMILES:
C(=C)(C1CC(O)C(C)C12Oc1cc(CCCCC)cc(O)c1C2=O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.567

InChIKey:
UKYSMYIJUIDQLH-UHFFFAOYSA-N

ID: 131769

SMILES:
C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.855

InChIKey:
KBTNQOVTNZTJGJ-UHFFFAOYSA-N

ID: 131770

SMILES:
c1(OC)cc2c(c(OC)c1)Oc1c(c(O)cc(CCCCC)c1)CC2CC=C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -14.794

InChIKey:
CHOXQBHEXVTJCU-UHFFFAOYSA-N

ID: 131771

SMILES:
C1(OC(=O)C)CCC(C)=CC2c3c(c(-c4c(O)cc(CCCCC)cc4O)cc(C=O)c3OC2(C)C)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 532.677

CB1 binding score: -14.592

InChIKey:
SSHMELUZXHEUOW-UHFFFAOYSA-N

ID: 131772

SMILES:
c12c(C)c(C)c3c(c1CCCC2(C)C)-c1c(O)cc(CCCCC)cc1OC3(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.61

CB1 binding score: -15.395

InChIKey:
RRBDDSLLAXYQSL-UHFFFAOYSA-N

ID: 131773

SMILES:
C12(C(O)=C(C)C(=O)C1(C)C)CCC(C)=CCc1c(O)cc(CCCCC)cc1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -14.425

InChIKey:
DGAMVIHVXDJJBK-UHFFFAOYSA-N

ID: 131774

SMILES:
CCCCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 131775

SMILES:
O1C(C)(C)C2C(C=C(C)CC2)c2c1cccc2O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.281

InChIKey:
KZTIITBECKQIPO-UHFFFAOYSA-N

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131755–131775 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