IngredientID 35839

Triptolide

C20H24O6

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Experiment: 12Herb: 10Ingredient: 1Target: 12Links: 34

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 35839
Core Entity Id: 43024
Source Entity Count: 1
Preferred Name: Triptolide
Name En
Pubchem Id: 107985
Smiles Canonical: CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2O)O7)COC6=O)C
Molecular Formula: C20H24O6
Molecular Weight: 360.4060
Inchikey: DFBIRQPKNDILPW-CIVMWXNOSA-N
Inchi: InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1
Isomeric Smiles: CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2O)O7)COC6=O)C
Cas Id: 38748-32-2
Ob Score: 51.2885
Mol Logp: 1.1031
Num H Donors: 1
Num H Acceptors: 6
Num Rotatable Bonds: 1
Drug Likeness: 0.5570
Polar Surface Area: 84.0000
Molecular Volume: 245.0000
Alogp: 1.0000

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Triptolide

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Triptolide

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Triptolide

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Triptolide

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

triptolide

Role

preferred

Source

TCMBank

Preferred

Yes

Name

19ALD1S53J

Role

alias

Source

HERB_v2

Preferred

Name

19ALD1S53J

Role

alias

Source

itcmdb_public

Preferred

Name

38748-32-2

Role

alias

Source

itcmdb_public

Preferred

Name

38748-32-2

Role

alias

Source

HERB_v2

Preferred

Name

38748-32-2

Role

alias

Source

TCMBank

Preferred

Name

AC-6084

Role

alias

Source

TCMBank

Preferred

Name

AKOS015895128

Role

alias

Source

TCMBank

Preferred

Name

BCPP000033

Role

alias

Source

TCMBank

Preferred

Name

BRD-A13122391-001-01-9

Role

alias

Source

TCMBank

Preferred

Name

BSPBio_001595

Role

alias

Source

TCMBank

Preferred

Name

Bio2_000315

Role

alias

Source

TCMBank

Preferred

Name

Bio2_000795

Role

alias

Source

TCMBank

Preferred

Name

C09204

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:94966

Role

alias

Source

TCMBank

Preferred

Name

CS-0286

Role

alias

Source

TCMBank

Preferred

Name

CT0223

Role

alias

Source

TCMBank

Preferred

Name

HY-32735

Role

alias

Source

TCMBank

Preferred

Name

IDI1_034065

Role

alias

Source

TCMBank

Preferred

Name

KBio2_000315

Role

alias

Source

TCMBank

Preferred

Name

KBio2_002883

Role

alias

Source

TCMBank

Preferred

Name

KBio2_005451

Role

alias

Source

TCMBank

Preferred

Name

KBio3_000629

Role

alias

Source

TCMBank

Preferred

Name

KBio3_000630

Role

alias

Source

TCMBank

Preferred

Name

KBioGR_000315

Role

alias

Source

TCMBank

Preferred

Name

KBioSS_000315

Role

alias

Source

TCMBank

Preferred

Name

MFCD00210565

Role

alias

Source

itcmdb_public

Preferred

Name

MFCD00210565

Role

alias

Source

HERB_v2

Preferred

Name

MLS000759410

Role

alias

Source

TCMBank

Preferred

Name

N1733

Role

alias

Source

TCMBank

Preferred

Name

NCGC00163411-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00163411-02

Role

alias

Source

TCMBank

Preferred

Name

NCI60_001223

Role

alias

Source

TCMBank

Preferred

Name

NSC 163062

Role

alias

Source

HERB_v2

Preferred

Name

NSC 163062

Role

alias

Source

itcmdb_public

Preferred

Name

NSC163062

Role

alias

Source

TCMBank

Preferred

Name

PG 490

Role

alias

Source

TCMBank

Preferred

Name

PG490

Role

alias

Source

HERB_v2

Preferred

Name

PG490

Role

alias

Source

itcmdb_public

Preferred

Name

SCHEMBL10028421

Role

alias

Source

TCMBank

Preferred

Name

SMP1_000110

Role

alias

Source

TCMBank

Preferred

Name

SMR000466307

Role

alias

Source

TCMBank

Preferred

Name

ST51052768

Role

alias

Source

TCMBank

Preferred

Name

TPL

Role

alias

Source

TCMBank

Preferred

Name

TRIPTOLIDE [MI]

Role

alias

Source

HERB_v2

Preferred

Name

TRIPTOLIDE [MI]

Role

alias

Source

itcmdb_public

Preferred

Name

Triptolid

Role

alias

Source

itcmdb_public

Preferred

Name

Triptolid

Role

alias

Source

TCMBank

Preferred

Name

Triptolid

Role

alias

Source

HERB_v2

Preferred

Name

Triptolide

Role

alias

Source

TCMBank

Preferred

Name

Triptolide (9CI)

Role

alias

Source

TCMBank

Preferred

Name

Triptolide, Tripterygium wilfordii

Role

alias

Source

TCMBank

Preferred

Name

Triptolide, from Tripterygium wilfordii, >=98% (HPLC), solid

Role

alias

Source

TCMBank

Preferred

Name

Trisoxireno(4b,5:6,7:8a,9)phenanthro(1,2-c)furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-

Role

alias

Source

TCMBank

Preferred

Name

Trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, [3bR-(3b.alpha.,4a.alpha.,5aS*,6.beta.,6a.beta.,7a.beta.,7b.alpha.,8aS*,8b.beta.)]-

Role

alias

Source

TCMBank

Preferred

Name

Trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, [3bR-(3b.alpha.,4a.alpha.,5aS*,6.beta.,6a.beta.,7a.beta.,7b.alpha.,8aS*,8b.beta.)]-

Role

alias

Source

TCMBank

Preferred

Name

UNII-19ALD1S53J

Role

alias

Source

HERB_v2

Preferred

Name

UNII-19ALD1S53J

Role

alias

Source

itcmdb_public

Preferred

Name

雷公藤;昆明山海棠

Role

TCM_name

Source

TCMBank

Preferred

Name

LEI GONG TENG;KUN MING SHAN HAI TANG

Role

TCM_name2

Source

TCMBank

Preferred

Name

Common Threewingnut;Glaucousback Threewingnut

Role

TCM_name_en

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

19ALD1S53J38748-32-2AC-6084AKOS015895128BCPP000033BRD-A13122391-001-01-9BSPBio_001595Bio2_000315Bio2_000795C09204CHEBI:94966CS-0286CT0223HY-32735IDI1_034065KBio2_000315KBio2_002883KBio2_005451KBio3_000629KBio3_000630KBioGR_000315KBioSS_000315MFCD00210565MLS000759410N1733NCGC00163411-01NCGC00163411-02NCI60_001223NSC 163062NSC163062PG 490PG490SCHEMBL10028421SMP1_000110SMR000466307ST51052768TPLTRIPTOLIDE [MI]TriptolidTriptolide (9CI)Triptolide, Tripterygium wilfordiiTriptolide, from Tripterygium wilfordii, >=98% (HPLC), solidTrisoxireno(4b,5:6,7:8a,9)phenanthro(1,2-c)furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-Trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, [3bR-(3b.alpha.,4a.alpha.,5aS*,6.beta.,6a.beta.,7a.beta.,7b.alpha.,8aS*,8b.beta.)]-Trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, [3bR-(3b.alpha.,4a.alpha.,5aS*,6.beta.,6a.beta.,7a.beta.,7b.alpha.,8aS*,8b.beta.)]-UNII-19ALD1S53J雷公藤;昆明山海棠LEI GONG TENG;KUN MING SHAN HAI TANGCommon Threewingnut;Glaucousback Threewingnut

Cross References

Trusted external identifiers retained for this final record.

Cas

38748-32-2

Hit

C0461

Herb

HBIN047173

Npass

NPC299590

Tcmid

21995

Tcmsp

MOL003187

Sym Map

SMIT00526

Tcm Id

24150353

Pub Chem

107985

Tcmbank

TCMBANKIN036848TCMBANKIN051561

Drug Bank

DB12025

Etcm Ingredient

Triptolide

Itcmdb Generated

ITX-INGREDIENT-D7D1C627F339

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

Alog P

In Ch I

InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1

Mol Wt

360.4060000000001

Cas Id

38748-32-2

Smiles

CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2O)O7)COC6=O)C

37 Flag

C Count

Mol Log P

1.1031

N Count

O Count

P Count

S Count

Version

v1,v2

In Ch Ikey

DFBIRQPKNDILPW-CIVMWXNOSA-N

Ob Score

51.288551.2885002751.289

Suppress

Tcm Name

雷公藤;昆明山海棠

Tcm Name2

LEI GONG TENG;KUN MING SHAN HAI TANG

Mol2 Path

/TCM_database/15.祛风湿药(23-26)/1.祛风湿散寒药(13-13)/雷公藤/Structure/triptolide.mol2

Reference

4658

Num Hdonors

Tcm Name En

Common Threewingnut;Glaucousback Threewingnut

Num H Donors

Drug Likeness

0.557

Num Hacceptors

Isomeric Smiles

CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2O)O7)COC6=O)C

Molecule Weight

360.44

Num H Acceptors

Canonical Smiles

CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2O)O7)COC6=O)C

Herb Alias Names

38748-32-2TriptolidNSC 163062PG490UNII-19ALD1S53JNSC-16306219ALD1S53JTRIPTOLIDE [MI]MFCD00210565

Molecular Weight

360.160

Molecular Volume

245

Molecular Weight

360.4

Molecule Formula

C20H24O6

Molecular Formula

C20H24O6

Molecular Formula

C20H24O6

Molecular Formula

C20H24O6

Num Rotatable Bonds

Molecular Polar Surface Area

Fda Maximum Daily Dose (Fdamdd)

0.907

Quantitative Estimate Of Drug Likeness（Qed）

0.743