ITCMDBv1
IngredientID 35816

Tripterine

C29H38O4

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Relationship Network

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

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Experiment: 12Herb: 12Ingredient: 1Target: 12Links: 36
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
35816
Core Entity Id
42999
Source Entity Count
1
Preferred Name
Tripterine
Name En
Pubchem Id
122724
Smiles Canonical
CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)O
Molecular Formula
C29H38O4
Molecular Weight
450.6190
Inchikey
KQJSQWZMSAGSHN-JJWQIEBTSA-N
Inchi
InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
Isomeric Smiles
CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C)O
Cas Id
34157-83-0
Ob Score
17.8410
Mol Logp
6.6977
Num H Donors
2
Num H Acceptors
3
Num Rotatable Bonds
1
Drug Likeness
0.4660
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Tripterine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Tripterine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tripterine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
tripterine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
34157-83-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
34157-83-0
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:63959
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:63959
Role
alias
Source
itcmdb_public
Preferred
No
Name
L8GG98663L
Role
alias
Source
itcmdb_public
Preferred
No
Name
L8GG98663L
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 70931
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 70931
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tripterin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tripterin
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-L8GG98663L
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-L8GG98663L
Role
alias
Source
HERB_v2
Preferred
No
Name
celastrol
Role
alias
Source
HERB_v2
Preferred
No
Name
celastrol
Role
alias
Source
itcmdb_public
Preferred
No
Name
粗毛南蛇藤;雷公藤;美洲南蛇藤;南蛇藤根;黑蔓;高梅缨瓣
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CU MAO NAN SHE TENG;LEI GONG TENG;MEI ZHOU NAN SHE TENG;NAN SHE TENG GEN;HEI MAN;GAO MEI YING BAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Hirsute Bittersweet*;Common Threewingnut;American Bittersweet;Oriental Bittersweet Root;Regel Threewingnut ;Gaumei Fringe-petal*
Role
TCM_name_en
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid34157-83-0CHEBI:63959L8GG98663LNSC 70931TripterinUNII-L8GG98663Lcelastrol粗毛南蛇藤;雷公藤;美洲南蛇藤;南蛇藤根;黑蔓;高梅缨瓣CU MAO NAN SHE TENG;LEI GONG TENG;MEI ZHOU NAN SHE TENG;NAN SHE TENG GEN;HEI MAN;GAO MEI YING BANHirsute Bittersweet*;Common Threewingnut;American Bittersweet;Oriental Bittersweet Root;Regel Threewingnut ;Gaumei Fringe-petal*

Cross References

Trusted external identifiers retained for this final record.

Cas
34157-83-0
Hit
C0792
Herb
HBIN020031HBIN047148
Npass
NPC289407
Tcmid
230243368
Tcmsp
MOL003186
Sym Map
SMIT05309SMIT14614
Tcm Id
245463555830
Pub Chem
1227244274774
Tcmbank
TCMBANKIN059689TCMBANKIN052303
Itcmdb Generated
ITX-INGREDIENT-9D36A89BAC3E

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
Mol Wt
450.6190000000003
Cas Id
34157-83-0
Smiles
CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)O
Mol Log P
6.697700000000006
Version
v1,v2
In Ch Ikey
KQJSQWZMSAGSHN-JJWQIEBTSA-N
Ob Score
17.84117.8414439517.841444
Suppress
0
Tcm Name
粗毛南蛇藤;雷公藤;美洲南蛇藤;南蛇藤根;黑蔓;高梅缨瓣
Tcm Name2
CU MAO NAN SHE TENG;LEI GONG TENG;MEI ZHOU NAN SHE TENG;NAN SHE TENG GEN;HEI MAN;GAO MEI YING BAN
Mol2 Path
/TCM_database/2003_3d_all/1280.mol2
Reference
1, 6, 900, 3969, 4416, 4415, 4604
Num Hdonors
2
Tcm Name En
Hirsute Bittersweet*;Common Threewingnut;American Bittersweet;Oriental Bittersweet Root;Regel Threewingnut ;Gaumei Fringe-petal*
Drug Likeness
0.466
Num Hacceptors
3
Isomeric Smiles
CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C)O
Molecule Weight
450.67
Canonical Smiles
CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)O
Herb Alias Names
celastrol34157-83-0Tripterin(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid(2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acidNSC 70931UNII-L8GG98663LCHEBI:63959L8GG98663L
Molecular Weight
450.61
Molecular Formula
C29H38O4
Molecular Formula
C29H38O4
Num Rotatable Bonds
1