Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Experiment: 1Herb: 2Ingredient: 1Reference: 3Target: 12Links: 18
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30739
- Core Entity Id
- 37347
- Source Entity Count
- 1
- Preferred Name
- Proscillaridin a
- Name En
- Pubchem Id
- 124328164
- Smiles Canonical
- CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O
- Molecular Formula
- C30H42O8
- Molecular Weight
- 530.6580
- Inchikey
- MYEJFUXQJGHEQK-ALRJYLEOSA-N
- Inchi
- InChI=1S/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16-,19-,20+,21-,22+,24-,25+,26+,27-,28-,29+,30-/m0/s1
- Isomeric Smiles
- C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 3.0138
- Num H Donors
- 4
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.4390
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Proscillaridin A
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Proscillaridin A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Proscillaridin a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Proscillaridin a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
proscillaridin a
Role
preferred
Source
TCMBank
Preferred
Yes
Name
466-06-8
Role
alias
Source
HERB_v2
Preferred
No
Name
466-06-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
Caradrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Caradrin
Role
alias
Source
HERB_v2
Preferred
No
Name
Cardion
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cardion
Role
alias
Source
HERB_v2
Preferred
No
Name
Cardiovite
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cardiovite
Role
alias
Source
HERB_v2
Preferred
No
Name
Coratol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Coratol
Role
alias
Source
HERB_v2
Preferred
No
Name
Proscillaridine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Proscillaridine
Role
alias
Source
HERB_v2
Preferred
No
Name
Scillacrist
Role
alias
Source
itcmdb_public
Preferred
No
Name
Scillacrist
Role
alias
Source
HERB_v2
Preferred
No
Name
Talusin
Role
alias
Source
HERB_v2
Preferred
No
Name
Talusin
Role
alias
Source
itcmdb_public
Preferred
No
Name
proscillaridin
Role
alias
Source
HERB_v2
Preferred
No
Name
proscillaridin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
466-06-8CaradrinCardionCardioviteCoratolProscillaridineScillacristTalusinproscillaridin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040882
Tcmid
17937
Sym Map
SMIT26260
Tcm Id
162924966
Pub Chem
1243281645284613
Tcmbank
TCMBANKIN000072
Etcm Ingredient
Proscillaridin A
Itcmdb Generated
ITX-INGREDIENT-32A917750EEDITX-INGREDIENT-3FF9180010A0
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16-,19-,20+,21-,22+,24-,25+,26+,27-,28-,29+,30-/m0/s1
Mol Wt
530.6580000000004
Smiles
CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O
Mol Log P
3.013800000000003
Version
v2
In Ch Ikey
MYEJFUXQJGHEQK-ALRJYLEOSA-N
Suppress
0
Num Hdonors
4
Drug Likeness
0.439
Num Hacceptors
8
Isomeric Smiles
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O
Canonical Smiles
CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O
Herb Alias Names
proscillaridin466-06-8CaradrinScillacristTalusinProscillaridineCardionCardioviteCoratol
Molecular Weight
530.290
Molecular Weight
530.6 g/mol
Molecular Formula
C30H42O8
Molecular Formula
C30H42O8
Molecular Formula
C30H42O8
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.733
Quantitative Estimate Of Drug Likeness（Qed）
0.439