Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30954
- Core Entity Id
- 37589
- Source Entity Count
- 1
- Preferred Name
- Psorospermin
- Name En
- Pubchem Id
- 126451
- Smiles Canonical
- CC1(CO1)C2CC3=C4C(=C(C=C3O2)OC)C(=O)C5=C(O4)C(=CC=C5)O
- Molecular Formula
- C19H16O6
- Molecular Weight
- 340.3310
- Inchikey
- BBNDPXOGORGETN-AUUYWEPGSA-N
- Inchi
- InChI=1S/C19H16O6/c1-19(8-23-19)14-6-10-12(24-14)7-13(22-2)15-16(21)9-4-3-5-11(20)17(9)25-18(10)15/h3-5,7,14,20H,6,8H2,1-2H3/t14-,19-/m1/s1
- Isomeric Smiles
- C[C@@]1(CO1)[C@H]2CC3=C4C(=C(C=C3O2)OC)C(=O)C5=C(O4)C(=CC=C5)O
- Cas Id
- Ob Score
- Mol Logp
- 2.7528
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5710
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Psorospermin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Psorospermin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Psorospermin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Psorospermin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Psorospermum febrifugum
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
(2R)-10-hydroxy-5-methoxy-2-[(2R)-2-methyloxiran-2-yl]-1,2-dihydrofuro[2,3-c]xanthen-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R)-10-hydroxy-5-methoxy-2-[(2R)-2-methyloxiran-2-yl]-1,2-dihydrofuro[2,3-c]xanthen-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
74045-97-9
Role
alias
Source
HERB_v2
Preferred
No
Name
74045-97-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L2QCN
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L2QCN
Role
alias
Source
HERB_v2
Preferred
No
Name
C10090
Role
alias
Source
itcmdb_public
Preferred
No
Name
C10090
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:8617
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:8617
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL369474
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL369474
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60995463
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID60995463
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL12312454
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL12312454
Role
alias
Source
itcmdb_public
Preferred
No
Name
psorospermine
Role
alias
Source
itcmdb_public
Preferred
No
Name
psorospermine
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Psorospermum febrifugum(2R)-10-hydroxy-5-methoxy-2-[(2R)-2-methyloxiran-2-yl]-1,2-dihydrofuro[2,3-c]xanthen-6-one74045-97-9AC1L2QCNC10090CHEBI:8617CHEMBL369474DTXSID60995463SCHEMBL12312454psorospermine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN041137
Npass
NPC108433
Tcmid
18077
Tcm Id
148423714
Pub Chem
126451
Tcmbank
TCMBANKIN049418
Etcm Ingredient
Psorospermin
Itcmdb Generated
ITX-INGREDIENT-216005872693
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H16O6/c1-19(8-23-19)14-6-10-12(24-14)7-13(22-2)15-16(21)9-4-3-5-11(20)17(9)25-18(10)15/h3-5,7,14,20H,6,8H2,1-2H3/t14-,19-/m1/s1
Mol Wt
340.331
Mol Log P
2.752800000000001
In Ch Ikey
BBNDPXOGORGETN-AUUYWEPGSA-N
Tcm Name2
Psorospermum febrifugum
Mol2 Path
/TCM_database/2007_3d_all/18091.mol2
Reference
5658
Num Hdonors
1
Drug Likeness
0.571
Num Hacceptors
6
Isomeric Smiles
C[C@@]1(CO1)[C@H]2CC3=C4C(=C(C=C3O2)OC)C(=O)C5=C(O4)C(=CC=C5)O
Canonical Smiles
CC1(CO1)C2CC3=C4C(=C(C=C3O2)OC)C(=O)C5=C(O4)C(=CC=C5)O
Herb Alias Names
74045-97-9(2R)-10-hydroxy-5-methoxy-2-[(2R)-2-methyloxiran-2-yl]-1,2-dihydrofuro[2,3-c]xanthen-6-oneCHEBI:8617CHEMBL369474C10090psorospermineAC1L2QCNSCHEMBL12312454DTXSID60995463
Molecular Weight
340.090
Molecular Weight
340.3 g/mol
Molecular Formula
C19H16O6
Molecular Formula
C19H16O6
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.157
Quantitative Estimate Of Drug Likeness（Qed）
0.571