Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18438
- Core Entity Id
- 23673
- Source Entity Count
- 1
- Preferred Name
- Eriocalysin b
- Name En
- Pubchem Id
- 16202215
- Smiles Canonical
- CC1(C=CC(=O)C23C1C(C(C45C2CCC(C4)C(=C)C5=O)(OC3)O)O)C
- Molecular Formula
- C20H24O5
- Molecular Weight
- 344.4070
- Inchikey
- RTIKCEKESDRWAE-UJVKWQRCSA-N
- Inchi
- InChI=1S/C20H24O5/c1-10-11-4-5-12-18-9-25-20(24,19(12,8-11)15(10)22)16(23)14(18)17(2,3)7-6-13(18)21/h6-7,11-12,14,16,23-24H,1,4-5,8-9H2,2-3H3/t11-,12+,14-,16+,18-,19+,20-/m1/s1
- Isomeric Smiles
- CC1(C=CC(=O)[C@]23[C@@H]1[C@@H]([C@]([C@]45[C@H]2CC[C@H](C4)C(=C)C5=O)(OC3)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 1.3890
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Eriocalysin B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Eriocalysin B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Eriocalysin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Eriocalysin b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
毛萼香茶菜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MAO E XIANG CHA CAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Hairysepal Rabdosia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(1S,2S,5R,8S,9S,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo(7.6.2.15,8.01,11.02,8)octadec-13-ene-7,15-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,2S,5R,8S,9S,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-13-ene-7,15-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
84745-95-9
Role
alias
Source
HERB_v2
Preferred
No
Name
84745-95-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2088267
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2088267
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID801317705
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID801317705
Role
alias
Source
itcmdb_public
Preferred
No
Name
Eri-B compound
Role
alias
Source
itcmdb_public
Preferred
No
Name
Eri-B compound
Role
alias
Source
HERB_v2
Preferred
No
Name
Eriocalyxin B
Role
alias
Source
itcmdb_public
Preferred
No
Name
Eriocalyxin B
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 637462
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 637462
Role
alias
Source
HERB_v2
Preferred
No
Name
Rabdosianone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rabdosianone
Role
alias
Source
HERB_v2
Preferred
No
Name
Rabdosianone I
Role
alias
Source
HERB_v2
Preferred
No
Name
Rabdosianone I
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL22526009
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL22526009
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
毛萼香茶菜MAO E XIANG CHA CAIHairysepal Rabdosia(1S,2S,5R,8S,9S,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo(7.6.2.15,8.01,11.02,8)octadec-13-ene-7,15-dione(1S,2S,5R,8S,9S,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-13-ene-7,15-dione84745-95-9CHEMBL2088267DTXSID801317705Eri-B compoundEriocalyxin BNSC 637462RabdosianoneRabdosianone ISCHEMBL22526009
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025579
Npass
NPC205534
Tcmid
7267
Pub Chem
16202215
Tcmbank
TCMBANKIN046170
Etcm Ingredient
Eriocalysin B
Itcmdb Generated
ITX-INGREDIENT-04499D8DF210
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H24O5/c1-10-11-4-5-12-18-9-25-20(24,19(12,8-11)15(10)22)16(23)14(18)17(2,3)7-6-13(18)21/h6-7,11-12,14,16,23-24H,1,4-5,8-9H2,2-3H3/t11-,12+,14-,16+,18-,19+,20-/m1/s1
Mol Wt
344.407
Mol Log P
1.389
In Ch Ikey
RTIKCEKESDRWAE-UJVKWQRCSA-N
Tcm Name
毛萼香茶菜
Tcm Name2
MAO E XIANG CHA CAI
Mol2 Path
/TCM_database/2007_3d_all/07268.mol2
Reference
4067
Num Hdonors
2
Tcm Name En
Hairysepal Rabdosia
Drug Likeness
0.649
Num Hacceptors
5
Isomeric Smiles
CC1(C=CC(=O)[C@]23[C@@H]1[C@@H]([C@]([C@]45[C@H]2CC[C@H](C4)C(=C)C5=O)(OC3)O)O)C
Canonical Smiles
CC1(C=CC(=O)C23C1C(C(C45C2CCC(C4)C(=C)C5=O)(OC3)O)O)C
Herb Alias Names
Eriocalyxin B84745-95-9(1S,2S,5R,8S,9S,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-13-ene-7,15-dioneEri-B compoundEriocalyxinB(1S,2S,5R,8S,9S,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo(7.6.2.15,8.01,11.02,8)octadec-13-ene-7,15-dioneNSC 637462RabdosianoneRabdosianone ICHEMBL2088267SCHEMBL22526009DTXSID801317705
Molecular Weight
344.160
Molecular Formula
C20H24O5
Molecular Formula
C20H24O5
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.917
Quantitative Estimate Of Drug Likeness（Qed）
0.649