Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 8Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36248
- Core Entity Id
- 43484
- Source Entity Count
- 1
- Preferred Name
- Uzarigenin
- Name En
- Pubchem Id
- 92760
- Smiles Canonical
- CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O
- Molecular Formula
- C23H34O4
- Molecular Weight
- 374.5210
- Inchikey
- XZTUSOXSLKTKJQ-CIXPXFMPSA-N
- Inchi
- InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16-,17+,18-,19+,21-,22+,23-/m0/s1
- Isomeric Smiles
- C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O
- Cas Id
- 466-09-1
- Ob Score
- Mol Logp
- 3.6043
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Uzarigenin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Uzarigenin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Uzarigenin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
uzarigenin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3.beta.,5.alpha.)-3,14-Dihydroxycard-20(22)-enolide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3.beta.,5.alpha.)-3,14-Dihydroxycard-20(22)-enolide
Role
alias
Source
HERB_v2
Preferred
No
Name
4-18-00-01470 (Beilstein Handbook Reference)
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-18-00-01470 (Beilstein Handbook Reference)
Role
alias
Source
HERB_v2
Preferred
No
Name
466-09-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
466-09-1
Role
alias
Source
HERB_v2
Preferred
No
Name
Card-20(22)-enolide, 3,14-dihydroxy-, (3.beta.,5.alpha.)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Card-20(22)-enolide, 3,14-dihydroxy-, (3.beta.,5.alpha.)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 207-373-0
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 207-373-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
K9ZR7LI283
Role
alias
Source
itcmdb_public
Preferred
No
Name
K9ZR7LI283
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 119993
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 119993
Role
alias
Source
itcmdb_public
Preferred
No
Name
Odorigeni
Role
alias
Source
HERB_v2
Preferred
No
Name
Odorigeni
Role
alias
Source
itcmdb_public
Preferred
No
Name
Urarigenin
Role
alias
Source
HERB_v2
Preferred
No
Name
Urarigenin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3.beta.,5.alpha.)-3,14-Dihydroxycard-20(22)-enolide4-18-00-01470 (Beilstein Handbook Reference)466-09-1Card-20(22)-enolide, 3,14-dihydroxy-, (3.beta.,5.alpha.)-EINECS 207-373-0K9ZR7LI283NSC 119993OdorigeniUrarigenin
Cross References
Trusted external identifiers retained for this final record.
Cas
466-09-1
Herb
HBIN047672
Npass
NPC268829
Tcmid
22285
Tcm Id
24425035
Pub Chem
92760
Tcmbank
TCMBANKIN021274
Etcm Ingredient
Uzarigenin
Itcmdb Generated
ITX-INGREDIENT-F87EB9FB8DBA
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16-,17+,18-,19+,21-,22+,23-/m0/s1
Mol Wt
374.5210000000001
Cas Id
466-09-1
Smiles
CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O
Mol Log P
3.604300000000003
In Ch Ikey
XZTUSOXSLKTKJQ-CIXPXFMPSA-N
Num Hdonors
2
Drug Likeness
0.688
Num Hacceptors
4
Isomeric Smiles
C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O
Canonical Smiles
CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O
Herb Alias Names
466-09-1UrarigeninOdorigeniK9ZR7LI283(3.beta.,5.alpha.)-3,14-Dihydroxycard-20(22)-enolideCard-20(22)-enolide, 3,14-dihydroxy-, (3.beta.,5.alpha.)-4-18-00-01470 (Beilstein Handbook Reference)EINECS 207-373-0NSC 119993
Molecular Weight
374.250
Molecular Weight
374.51
Molecular Formula
C23H34O4
Molecular Formula
C23H34O4
Molecular Formula
C23H34O4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.945
Quantitative Estimate Of Drug Likeness（Qed）
0.672