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Molecule Identifiers
Molecular Properties

ID: 138811

SMILES:
O1C(C)(C)OC1C(=CC(=O)CC1(C)C(C(C)=C)CC2c3c(O)cc(C)cc3OC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.526

CB1 binding score: -14.331

InChIKey:
XQSVDDYJIDRDSM-UHFFFAOYSA-N

ID: 138812

SMILES:
O(c1c(OC)cc(CCc2cc(O)c3c(c2)OC(C)(C)C2C3C=C(C)CC2)cc1OC)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.564

CB1 binding score: -14.473

InChIKey:
ADGDPNBYYADGKC-UHFFFAOYSA-N

ID: 138813

SMILES:
C1(C)C2C(=CC(C)(C)C2)c2c(cc(CCCCC)cc2O)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.726

InChIKey:
WKXAFRLCFBCSDP-UHFFFAOYSA-N

ID: 138814

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -14.532

InChIKey:
LVWWEBKWXKGJIO-UHFFFAOYSA-N

ID: 138815

SMILES:
c1(OC)c(C2C=C(CO)CCC2C(C)=C)c(O)cc(CCc2ccc(O)c(O)c2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.51

CB1 binding score: -16.842

InChIKey:
WUKINTQOCSZRIT-UHFFFAOYSA-N

ID: 138816

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 138817

SMILES:
O=C1C=CC(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.334

InChIKey:
YCDXQMAIGVRFAO-UHFFFAOYSA-N

ID: 138818

SMILES:
C12(C)c3c(cc(CCCC)cc3)OC(O1)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 232.323

CB1 binding score: -15.913

InChIKey:
GZMKQUPFTARGDE-UHFFFAOYSA-N

ID: 138819

SMILES:
c1cc(C2C(C(=C)C)C(c3c(OC)cc(CCCCC)cc3OC)OC2)c(O)c(C(CC(C)C)=O)c1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 510.671

CB1 binding score: -13.943

InChIKey:
KABVKCOKOAVMHN-UHFFFAOYSA-N

ID: 138820

SMILES:
C1C2C(COC(c3ccccc3)=O)(C(O)CC1C(C)(O)C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 468.59

CB1 binding score: -16.485

InChIKey:
IDKYOYALTNYXKV-UHFFFAOYSA-N

ID: 138821

SMILES:
O1c2c(C)cc(OCCCCCCCC)cc2CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -11.586

InChIKey:
QNZQNUAIHXSIHA-UHFFFAOYSA-N

ID: 138822

SMILES:
c1(O)cc(CC=C(C)C)c(O)cc1CC=C(CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.051

InChIKey:
TXLIVWXFPYVBTA-UHFFFAOYSA-N

ID: 138823

SMILES:
C(CCC)c1c(O)c2c(c(O)c1C)OC(CCC=C(C)C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.496

InChIKey:
GWVXWQRZUZBSQN-UHFFFAOYSA-N

ID: 138824

SMILES:
CC1(C)OC1CC1OC1(C)C1CCC2C1(C)c1ccc(OC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -12.92

InChIKey:
FGLIBHTUJHSBRK-UHFFFAOYSA-N

ID: 138825

SMILES:
c12c(O)c(CCO)c(O)c(C(=O)CCCCC)c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -13.842

InChIKey:
USOUYDHRXHLYAF-UHFFFAOYSA-N

ID: 138826

SMILES:
CC(c1ccc(O)c2c1OC(C1CCC(C)=CC1)(C)C2)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -14.089

InChIKey:
PDEZEZFTDKSBJR-UHFFFAOYSA-N

ID: 138827

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: 138828

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -16.209

InChIKey:
XZDSNPGSSACMEJ-UHFFFAOYSA-N

ID: 138829

SMILES:
c12c3c(c(C)cc1)CCC(C(C)(C)O2)C3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 202.297

CB1 binding score: -17.753

InChIKey:
WUOGCWCOFRBZNZ-UHFFFAOYSA-N

ID: 138830

SMILES:
c1c(O)c(C(CC(C)C)=O)c(O)c(C2C=C(C)CCC2C(C)=C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -19.167

InChIKey:
CFZLDEROOCUHHL-UHFFFAOYSA-N

ID: 138831

SMILES:
C(CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.443

CB1 binding score: -19.478

InChIKey:
UELYWRAKVJEDIL-UHFFFAOYSA-N

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138811–138831 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