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
- 18582
- Core Entity Id
- 23831
- Source Entity Count
- 1
- Preferred Name
- Eryvarinol b
- Name En
- Pubchem Id
- 11114230
- Smiles Canonical
- CC(=CCC1=C(C=CC(=C1)CC(C(C2=C(C=C(C=C2)O)OC)O)OC(=O)C3=CC(=C(C(=C3)OC)O)OC)O)C
- Molecular Formula
- C30H34O9
- Molecular Weight
- 538.5930
- Inchikey
- GEPYENNZEVKGNW-IZLXSDGUSA-N
- Inchi
- InChI=1S/C30H34O9/c1-17(2)6-8-19-12-18(7-11-23(19)32)13-27(28(33)22-10-9-21(31)16-24(22)36-3)39-30(35)20-14-25(37-4)29(34)26(15-20)38-5/h6-7,9-12,14-16,27-28,31-34H,8,13H2,1-5H3/t27-,28+/m1/s1
- Isomeric Smiles
- CC(=CCC1=C(C=CC(=C1)C[C@H]([C@H](C2=C(C=C(C=C2)O)OC)O)OC(=O)C3=CC(=C(C(=C3)OC)O)OC)O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.8396
- Num H Donors
- 4
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 11
- Drug Likeness
- 0.2000
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Eryvarinol B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Eryvarinol B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Eryvarinol b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Eryvarinol b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
刺桐
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CI TONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Coral-tree
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
((1S,2R)-1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)propan-2-yl) 4-hydroxy-3,5-dimethoxybenzoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)propan-2-yl 4-hydroxy-3,5-dimethoxybenzoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propan-2-yl 4-hydroxy-3,5-dimethoxybenzoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)propan-2-yl 4-hydroxy-3,5-dimethoxybenzoate
Role
alias
Source
HERB_v2
Preferred
No
Name
1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propan-2-yl 4-hydroxy-3,5-dimethoxybenzoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
3''-Prenyl-1-(4-hydroxy-2-methoxyphenyl)-2-(4-hydroxy-3,5-dimethoxybenzoyloxy)-3-(4-hydroxyphenyl)propan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3''-Prenyl-1-(4-hydroxy-2-methoxyphenyl)-2-(4-hydroxy-3,5-dimethoxybenzoyloxy)-3-(4-hydroxyphenyl)propan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
[(1S,2R)-1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propan-2-yl] 4-hydroxy-3,5-dimethoxybenzoate
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
刺桐CI TONGCoral-tree((1S,2R)-1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)propan-2-yl) 4-hydroxy-3,5-dimethoxybenzoate1-Hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)propan-2-yl 4-hydroxy-3,5-dimethoxybenzoic acid1-Hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propan-2-yl 4-hydroxy-3,5-dimethoxybenzoic acid1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)propan-2-yl 4-hydroxy-3,5-dimethoxybenzoate1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propan-2-yl 4-hydroxy-3,5-dimethoxybenzoate3''-Prenyl-1-(4-hydroxy-2-methoxyphenyl)-2-(4-hydroxy-3,5-dimethoxybenzoyloxy)-3-(4-hydroxyphenyl)propan-1-ol[(1S,2R)-1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propan-2-yl] 4-hydroxy-3,5-dimethoxybenzoate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025740
Npass
NPC46786
Tcmid
7352
Pub Chem
11114230
Tcmbank
TCMBANKIN047438
Etcm Ingredient
Eryvarinol B
Itcmdb Generated
ITX-INGREDIENT-9D75739CC23A
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H34O9/c1-17(2)6-8-19-12-18(7-11-23(19)32)13-27(28(33)22-10-9-21(31)16-24(22)36-3)39-30(35)20-14-25(37-4)29(34)26(15-20)38-5/h6-7,9-12,14-16,27-28,31-34H,8,13H2,1-5H3/t27-,28+/m1/s1
Mol Wt
538.5930000000003
Mol Log P
4.839600000000007
In Ch Ikey
GEPYENNZEVKGNW-IZLXSDGUSA-N
Tcm Name
刺桐
Tcm Name2
CI TONG
Mol2 Path
/TCM_database/2007_3d_all/07353.mol2
Reference
4671
Num Hdonors
4
Tcm Name En
Coral-tree
Drug Likeness
0.2
Num Hacceptors
9
Isomeric Smiles
CC(=CCC1=C(C=CC(=C1)C[C@H]([C@H](C2=C(C=C(C=C2)O)OC)O)OC(=O)C3=CC(=C(C(=C3)OC)O)OC)O)C
Canonical Smiles
CC(=CCC1=C(C=CC(=C1)CC(C(C2=C(C=C(C=C2)O)OC)O)OC(=O)C3=CC(=C(C(=C3)OC)O)OC)O)C
Herb Alias Names
[(1S,2R)-1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propan-2-yl] 4-hydroxy-3,5-dimethoxybenzoate((1S,2R)-1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)propan-2-yl) 4-hydroxy-3,5-dimethoxybenzoate1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)propan-2-yl 4-hydroxy-3,5-dimethoxybenzoate1-Hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)propan-2-yl 4-hydroxy-3,5-dimethoxybenzoic acid1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propan-2-yl 4-hydroxy-3,5-dimethoxybenzoate1-Hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propan-2-yl 4-hydroxy-3,5-dimethoxybenzoic acid3''-Prenyl-1-(4-hydroxy-2-methoxyphenyl)-2-(4-hydroxy-3,5-dimethoxybenzoyloxy)-3-(4-hydroxyphenyl)propan-1-ol
Molecular Weight
538.220
Molecular Weight
538.6 g/mol
Molecular Formula
C30H34O9
Molecular Formula
C30H34O9
Num Rotatable Bonds
11
Fda Maximum Daily Dose (Fdamdd)
0.760
Quantitative Estimate Of Drug Likeness（Qed）
0.200