Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31923
- Core Entity Id
- 38673
- Source Entity Count
- 1
- Preferred Name
- Riccardin c
- Name En
- Pubchem Id
- 10070992
- Smiles Canonical
- C1CC2=C(C=CC(=C2)O)C3=C(C=C(CCC4=CC(=C(C=C4)O)OC5=CC=C1C=C5)C=C3)O
- Molecular Formula
- C28H24O4
- Molecular Weight
- 424.4960
- Inchikey
- JMKSVONWZFVEAI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C28H24O4/c29-22-9-13-24-21(17-22)8-3-18-4-10-23(11-5-18)32-28-16-20(7-14-26(28)30)2-1-19-6-12-25(24)27(31)15-19/h4-7,9-17,29-31H,1-3,8H2
- Isomeric Smiles
- C1CC2=C(C=CC(=C2)O)C3=C(C=C(CCC4=CC(=C(C=C4)O)OC5=CC=C1C=C5)C=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 6.1465
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3170
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Riccardin C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Riccardin c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Riccardin c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
riccardin c
Role
preferred
Source
TCMBank
Preferred
Yes
Name
14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15,17,19(27),22,25-dodecaene-5,16,24-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15,17,19(27),22,25-dodecaene-5,16,24-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
84575-08-6
Role
alias
Source
HERB_v2
Preferred
No
Name
84575-08-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM23839
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM23839
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL411317
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL411317
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID101030291
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID101030291
Role
alias
Source
HERB_v2
Preferred
No
Name
Q7322888
Role
alias
Source
HERB_v2
Preferred
No
Name
Q7322888
Role
alias
Source
itcmdb_public
Preferred
No
Name
R9TH5VM6BD
Role
alias
Source
itcmdb_public
Preferred
No
Name
R9TH5VM6BD
Role
alias
Source
HERB_v2
Preferred
No
Name
Riccardi C
Role
alias
Source
HERB_v2
Preferred
No
Name
Riccardi C
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL22704770
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL22704770
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15,17,19(27),22,25-dodecaene-5,16,24-triol84575-08-6BDBM23839CHEMBL411317DTXSID101030291Q7322888R9TH5VM6BDRiccardi CSCHEMBL22704770
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042309
Npass
NPC73656
Tcmid
18824
Pub Chem
10070992
Tcmbank
TCMBANKIN049009
Etcm Ingredient
Riccardin C
Itcmdb Generated
ITX-INGREDIENT-7423C13B75AD
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H24O4/c29-22-9-13-24-21(17-22)8-3-18-4-10-23(11-5-18)32-28-16-20(7-14-26(28)30)2-1-19-6-12-25(24)27(31)15-19/h4-7,9-17,29-31H,1-3,8H2
Mol Wt
424.496
Smiles
C1CC2=C(C=CC(=C2)O)C3=C(C=C(CCC4=CC(=C(C=C4)O)OC5=CC=C1C=C5)C=C3)O
Mol Log P
6.146500000000007
In Ch Ikey
JMKSVONWZFVEAI-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/18839.mol2
Reference
660
Num Hdonors
3
Drug Likeness
0.317
Num Hacceptors
4
Isomeric Smiles
C1CC2=C(C=CC(=C2)O)C3=C(C=C(CCC4=CC(=C(C=C4)O)OC5=CC=C1C=C5)C=C3)O
Canonical Smiles
C1CC2=C(C=CC(=C2)O)C3=C(C=C(CCC4=CC(=C(C=C4)O)OC5=CC=C1C=C5)C=C3)O
Herb Alias Names
84575-08-614-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15,17,19(27),22,25-dodecaene-5,16,24-triolRiccardi CR9TH5VM6BDCHEMBL411317SCHEMBL22704770BDBM23839DTXSID101030291Q7322888
Molecular Weight
424.170
Molecular Weight
424.5 g/mol
Molecular Formula
C28H24O4
Molecular Formula
C28H24O4
Molecular Formula
C28H24O4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.933
Quantitative Estimate Of Drug Likeness（Qed）
0.317